 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_wB97XD-augccpVDZr.in
 Output=30_ibuprofen_conformer04_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-32434.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32435.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239784069 Hartrees.
 Nuclear repulsion after empirical dispersion term =      973.0650404749 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.57D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:17 2021, MaxMem=  6442450944 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578684790502    
 DIIS: error= 1.49D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578684790502     IErMin= 1 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-03 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.16D-02 MaxDP=6.69D+00              OVMax= 1.09D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.86D-02    CP:  1.68D+00
 E= -656.584816051137     Delta-E=       -0.006131260634 Rises=F Damp=F
 DIIS: error= 2.60D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584816051137     IErMin= 2 ErrMin= 2.60D-04
 ErrMax= 2.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.60D-03
 Coeff-Com: -0.462D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.461D-01 0.105D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.00D-03 MaxDP=1.04D+00 DE=-6.13D-03 OVMax= 3.87D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.18D-03    CP:  1.79D+00  1.15D+00
 E= -656.584959514309     Delta-E=       -0.000143463172 Rises=F Damp=F
 DIIS: error= 2.18D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584959514309     IErMin= 3 ErrMin= 2.18D-04
 ErrMax= 2.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-05 BMatP= 1.23D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.18D-03
 Coeff-Com: -0.351D-01 0.480D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.350D-01 0.479D+00 0.556D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.47D-04 MaxDP=5.81D-02 DE=-1.43D-04 OVMax= 1.47D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.68D-05    CP:  1.80D+00  1.16D+00  1.08D+00
 E= -656.585014361615     Delta-E=       -0.000054847306 Rises=F Damp=F
 DIIS: error= 3.97D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.585014361615     IErMin= 4 ErrMin= 3.97D-05
 ErrMax= 3.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-06 BMatP= 7.94D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-02-0.289D-01 0.125D+00 0.906D+00
 Coeff:     -0.186D-02-0.289D-01 0.125D+00 0.906D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.53D-04 MaxDP=3.25D-02 DE=-5.48D-05 OVMax= 5.62D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.38D-05    CP:  1.80D+00  1.16D+00  1.15D+00  1.55D+00
 E= -656.585017858554     Delta-E=       -0.000003496939 Rises=F Damp=F
 DIIS: error= 2.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.585017858554     IErMin= 5 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-07 BMatP= 3.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-02-0.480D-01 0.734D-02 0.382D+00 0.657D+00
 Coeff:      0.181D-02-0.480D-01 0.734D-02 0.382D+00 0.657D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.46D-05 MaxDP=2.59D-03 DE=-3.50D-06 OVMax= 2.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.80D+00  1.16D+00  1.16D+00  1.66D+00  1.11D+00
 E= -656.585018410274     Delta-E=       -0.000000551720 Rises=F Damp=F
 DIIS: error= 6.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.585018410274     IErMin= 6 ErrMin= 6.46D-06
 ErrMax= 6.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-07 BMatP= 6.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.199D-01-0.104D-01 0.830D-01 0.327D+00 0.619D+00
 Coeff:      0.108D-02-0.199D-01-0.104D-01 0.830D-01 0.327D+00 0.619D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.05D-05 MaxDP=1.23D-03 DE=-5.52D-07 OVMax= 9.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.34D-06    CP:  1.80D+00  1.16D+00  1.16D+00  1.67D+00  1.17D+00
                    CP:  1.14D+00
 E= -656.585018494135     Delta-E=       -0.000000083861 Rises=F Damp=F
 DIIS: error= 1.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.585018494135     IErMin= 7 ErrMin= 1.89D-06
 ErrMax= 1.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-09 BMatP= 1.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-03-0.898D-03-0.452D-02-0.206D-01 0.438D-01 0.238D+00
 Coeff-Com:  0.744D+00
 Coeff:      0.158D-03-0.898D-03-0.452D-02-0.206D-01 0.438D-01 0.238D+00
 Coeff:      0.744D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=9.08D-06 MaxDP=1.17D-03 DE=-8.39D-08 OVMax= 4.61D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.52D-06    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.19D+00  1.30D+00
 E= -656.585018504029     Delta-E=       -0.000000009894 Rises=F Damp=F
 DIIS: error= 5.57D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.585018504029     IErMin= 8 ErrMin= 5.57D-07
 ErrMax= 5.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.49D-10 BMatP= 8.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.767D-04 0.203D-02-0.147D-03-0.168D-01-0.267D-01-0.205D-01
 Coeff-Com:  0.228D+00 0.834D+00
 Coeff:     -0.767D-04 0.203D-02-0.147D-03-0.168D-01-0.267D-01-0.205D-01
 Coeff:      0.228D+00 0.834D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.93D-06 MaxDP=3.93D-04 DE=-9.89D-09 OVMax= 1.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.05D-07    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.23D+00  1.31D+00  1.19D+00
 E= -656.585018505121     Delta-E=       -0.000000001092 Rises=F Damp=F
 DIIS: error= 1.90D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.585018505121     IErMin= 9 ErrMin= 1.90D-07
 ErrMax= 1.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.88D-11 BMatP= 8.49D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-04 0.835D-03 0.284D-03-0.490D-02-0.127D-01-0.286D-01
 Coeff-Com:  0.309D-01 0.303D+00 0.711D+00
 Coeff:     -0.408D-04 0.835D-03 0.284D-03-0.490D-02-0.127D-01-0.286D-01
 Coeff:      0.309D-01 0.303D+00 0.711D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.67D-07 MaxDP=1.94D-05 DE=-1.09D-09 OVMax= 5.11D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.76D-07    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.22D+00  1.35D+00  1.21D+00  1.07D+00
 E= -656.585018505186     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 9.09D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.585018505186     IErMin=10 ErrMin= 9.09D-08
 ErrMax= 9.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-11 BMatP= 8.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-05-0.454D-04 0.132D-03 0.118D-02 0.595D-03-0.774D-02
 Coeff-Com: -0.260D-01-0.377D-01 0.258D+00 0.812D+00
 Coeff:     -0.178D-05-0.454D-04 0.132D-03 0.118D-02 0.595D-03-0.774D-02
 Coeff:     -0.260D-01-0.377D-01 0.258D+00 0.812D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.96D-07 MaxDP=3.22D-05 DE=-6.50D-11 OVMax= 2.09D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.22D+00  1.34D+00  1.21D+00  1.09D+00  1.06D+00
 E= -656.585018505351     Delta-E=       -0.000000000165 Rises=F Damp=F
 DIIS: error= 2.72D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.585018505351     IErMin=11 ErrMin= 2.72D-08
 ErrMax= 2.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-12 BMatP= 1.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.484D-05-0.131D-03 0.784D-05 0.108D-02 0.206D-02 0.580D-03
 Coeff-Com: -0.130D-01-0.548D-01 0.360D-02 0.288D+00 0.773D+00
 Coeff:      0.484D-05-0.131D-03 0.784D-05 0.108D-02 0.206D-02 0.580D-03
 Coeff:     -0.130D-01-0.548D-01 0.360D-02 0.288D+00 0.773D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=9.64D-08 MaxDP=1.17D-05 DE=-1.65D-10 OVMax= 9.06D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.53D-08    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.22D+00  1.34D+00  1.20D+00  1.10D+00  1.12D+00
                    CP:  1.09D+00
 E= -656.585018505210     Delta-E=        0.000000000141 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.585018505351     IErMin=12 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-13 BMatP= 1.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-05-0.300D-04-0.159D-04 0.137D-03 0.527D-03 0.108D-02
 Coeff-Com: -0.455D-04-0.105D-01-0.305D-01-0.270D-01 0.214D+00 0.853D+00
 Coeff:      0.155D-05-0.300D-04-0.159D-04 0.137D-03 0.527D-03 0.108D-02
 Coeff:     -0.455D-04-0.105D-01-0.305D-01-0.270D-01 0.214D+00 0.853D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.90D-08 MaxDP=1.87D-06 DE= 1.41D-10 OVMax= 4.66D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.38D-09    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.22D+00  1.34D+00  1.20D+00  1.10D+00  1.14D+00
                    CP:  1.17D+00  1.12D+00
 E= -656.585018505203     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 6.12D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.585018505351     IErMin=13 ErrMin= 6.12D-09
 ErrMax= 6.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-14 BMatP= 2.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-06 0.133D-04-0.478D-05-0.137D-03-0.189D-03 0.196D-03
 Coeff-Com:  0.203D-02 0.595D-02-0.807D-02-0.541D-01-0.761D-01 0.217D+00
 Coeff-Com:  0.914D+00
 Coeff:     -0.365D-06 0.133D-04-0.478D-05-0.137D-03-0.189D-03 0.196D-03
 Coeff:      0.203D-02 0.595D-02-0.807D-02-0.541D-01-0.761D-01 0.217D+00
 Coeff:      0.914D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=9.14D-07 DE= 7.50D-12 OVMax= 2.66D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.35D-09    CP:  1.80D+00  1.16D+00  1.16D+00  1.68D+00  1.19D+00
                    CP:  1.22D+00  1.34D+00  1.20D+00  1.09D+00  1.13D+00
                    CP:  1.19D+00  1.19D+00  1.03D+00
 E= -656.585018505147     Delta-E=        0.000000000055 Rises=F Damp=F
 DIIS: error= 1.99D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -656.585018505351     IErMin=14 ErrMin= 1.99D-09
 ErrMax= 1.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-15 BMatP= 3.22D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-06 0.828D-05 0.978D-06-0.610D-04-0.138D-03-0.877D-04
 Coeff-Com:  0.579D-03 0.333D-02 0.243D-02-0.111D-01-0.549D-01-0.662D-01
 Coeff-Com:  0.274D+00 0.852D+00
 Coeff:     -0.338D-06 0.828D-05 0.978D-06-0.610D-04-0.138D-03-0.877D-04
 Coeff:      0.579D-03 0.333D-02 0.243D-02-0.111D-01-0.549D-01-0.662D-01
 Coeff:      0.274D+00 0.852D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.05D-09 MaxDP=2.36D-07 DE= 5.55D-11 OVMax= 1.16D-07

 SCF Done:  E(RwB97XD) =  -656.585018505     A.U. after   14 cycles
            NFock= 14  Conv=0.30D-08     -V/T= 2.0061
 KE= 6.526020436455D+02 PE=-3.473278212982D+03 EE= 1.191026110356D+03
 Leave Link  502 at Mon Sep 27 09:51:45 2021, MaxMem=  6442450944 cpu:            5484.9 elap:             687.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.87516309D+02

 Leave Link  801 at Mon Sep 27 09:51:45 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.47D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.08D-01 8.13D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.83D-02 6.73D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.71D-03 1.80D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 7.74D-04 3.89D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.03D-04 1.27D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 6.38D-06 5.16D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.25D-07 9.32D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.14D-08 1.39D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 4.02D-10 2.28D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.27D-11 4.65D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.86D-13 6.56D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 7.93D-14 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220775D+03
      2 -0.164226D+01  0.139206D+03
      3  0.204008D+01 -0.751019D+01  0.150143D+03
 Isotropic polarizability for W=    0.088559      170.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.251834D+03  0.389770D+02 -0.229167D+02
      2  -0.134784D+03 -0.240723D+02  0.414547D+02
      3  -0.117049D+03 -0.149047D+02 -0.185380D+02
      4  -0.422688D+02  0.763575D+02 -0.145929D+02
      5  -0.263743D+02 -0.203350D+02  0.748904D+02
      6   0.205026D+00  0.215619D+02 -0.365538D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.791160D+01 -0.707278D+01  0.236356D+02
      2  -0.915937D+00 -0.655597D+01  0.359447D+02
      3  -0.100898D+03 -0.423759D+02  0.120340D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.574210D+01 -0.198928D+02  0.216491D+02
      2   0.345756D+01 -0.147979D+02  0.191940D+03
      3  -0.812458D+02 -0.211142D+03  0.205400D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.130348D+01 -0.572257D-01  0.118660D+02
      2  -0.572257D-01 -0.163829D+01 -0.792467D+00
      3   0.118660D+02 -0.792467D+00 -0.209878D+01
 OR G Eigenvalues:   -12.4142    -1.6329    11.6135  Iso=     0.8112
 Eigenvectors:
   (1)  -0.653203   0.052083   0.755389
   (2)   0.066180   0.997741  -0.011565
   (3)   0.754285  -0.042437   0.655175
 w=    0.088559 a.u., Optical Rotation Beta=      0.8112 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      199.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 2.71D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.75D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.33D-02 2.81D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.77D-03 9.64D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.71D-05 2.26D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.89D-06 2.57D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.78D-08 2.01D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.15D-10 1.56D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.17D-12 1.58D-07.
     29 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 3.99D-14 2.29D-08.
      8 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 5.73D-15 5.63D-09.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.80D-15 3.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   279 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.49D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.49D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220775D+03 -0.164226D+01  0.204008D+01
      2  -0.164226D+01  0.139206D+03 -0.751019D+01
      3   0.204008D+01 -0.751019D+01  0.150143D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.791160D+01 -0.707278D+01  0.236356D+02
      2  -0.915937D+00 -0.655597D+01  0.359447D+02
      3  -0.100898D+03 -0.423759D+02  0.120340D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.251834D+03  0.389770D+02 -0.229167D+02
      2  -0.134784D+03 -0.240723D+02  0.414547D+02
      3  -0.117049D+03 -0.149047D+02 -0.185380D+02
      4  -0.422688D+02  0.763575D+02 -0.145929D+02
      5  -0.263743D+02 -0.203350D+02  0.748904D+02
      6   0.205026D+00  0.215619D+02 -0.365538D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118962D+02 -0.131729D+00  0.798541D+00  0.577536D+01  0.203799D+01
      2  -0.131729D+00  0.138429D+01  0.106348D-01  0.203799D+01  0.200331D+01
      3   0.798541D+00  0.106348D-01  0.147566D+01 -0.257530D+00 -0.280525D+01
                 6             7             8             9            10 
      1  -0.257530D+00 -0.101811D+02  0.226747D+00 -0.322137D+00  0.301278D+02
      2  -0.280525D+01  0.226747D+00 -0.131281D+01 -0.113958D+01  0.153969D+01
      3  -0.210992D+01 -0.322137D+00 -0.113958D+01 -0.211624D+01 -0.104334D+01
                11            12            13            14            15 
      1   0.153969D+01 -0.104334D+01 -0.531823D+00  0.451993D+01  0.133264D+01
      2   0.199731D+01 -0.698046D+00  0.451993D+01 -0.786543D+00 -0.174640D+00
      3  -0.698046D+00  0.295049D+01  0.133264D+01 -0.174640D+00 -0.893056D+00
                16            17            18            19            20 
      1  -0.381674D+01  0.149891D+01  0.107678D+01  0.866891D+01 -0.931336D-02
      2   0.149891D+01  0.104987D+00 -0.678249D+00 -0.931336D-02 -0.134916D+01
      3   0.107678D+01 -0.678249D+00 -0.366491D+00 -0.769270D+00 -0.361565D+00
                21            22            23            24            25 
      1  -0.769270D+00  0.420956D+01 -0.138153D+01 -0.102275D+01 -0.132427D+02
      2  -0.361565D+00 -0.138153D+01  0.253188D+01 -0.228468D+01 -0.150543D+00
      3  -0.329711D+01 -0.102275D+01 -0.228468D+01 -0.121059D+01  0.457437D+00
                26            27            28            29            30 
      1  -0.150543D+00  0.457437D+00 -0.274979D+02 -0.644664D+00  0.998615D+00
      2  -0.809209D+00 -0.718009D+00 -0.644664D+00 -0.161081D+01  0.234422D+00
      3  -0.718009D+00 -0.166314D+01  0.998615D+00  0.234422D+00 -0.271493D+01
                31            32            33            34            35 
      1   0.195728D+01 -0.479574D+01 -0.139031D+01  0.250403D+01 -0.128488D+01
      2  -0.479574D+01  0.525688D+00  0.387065D+00 -0.128488D+01 -0.562854D-01
      3  -0.139031D+01  0.387065D+00  0.523338D-01 -0.725947D+00 -0.806525D+00
                36            37            38            39            40 
      1  -0.725947D+00  0.131078D+02 -0.357105D+00 -0.803728D+00 -0.382589D+01
      2  -0.806525D+00 -0.357105D+00 -0.242856D+01  0.136100D+01 -0.169355D+01
      3   0.856833D+00 -0.803728D+00  0.136100D+01 -0.225862D+01 -0.115534D+00
                41            42            43            44            45 
      1  -0.169355D+01 -0.115534D+00  0.111897D+02 -0.162601D+01  0.453733D+00
      2  -0.270986D+01  0.258293D+01 -0.162601D+01  0.133716D+01  0.127907D+01
      3   0.258293D+01  0.193620D+01  0.453733D+00  0.127907D+01  0.174212D+01
                46            47            48            49            50 
      1  -0.961211D+01  0.421039D+00  0.489924D+00 -0.294834D+01  0.100740D+01
      2   0.421039D+00  0.196359D+01 -0.754727D+00  0.100740D+01 -0.350721D+01
      3   0.489924D+00 -0.754727D+00  0.362157D+01  0.146420D+01  0.216688D+01
                51            52            53            54            55 
      1   0.146420D+01  0.130070D+02  0.130000D+01 -0.935588D+00 -0.148239D+02
      2   0.216688D+01  0.130000D+01  0.326915D-01  0.142406D+01 -0.216996D+01
      3   0.117385D+01 -0.935588D+00  0.142406D+01  0.878907D+00 -0.470815D+00
                56            57            58            59            60 
      1  -0.216996D+01 -0.470815D+00 -0.560721D+01 -0.705275D+01 -0.512621D+00
      2  -0.349077D+01 -0.145924D+00 -0.705275D+01  0.245915D+01 -0.170427D+01
      3  -0.145924D+00 -0.137049D+01 -0.512621D+00 -0.170427D+01 -0.777809D-01
                61            62            63            64            65 
      1  -0.564057D+01 -0.127679D+01 -0.298887D+01 -0.118901D+01  0.310900D+01
      2  -0.127679D+01 -0.308021D+01  0.549174D+00  0.310900D+01  0.385998D+01
      3  -0.298887D+01  0.549174D+00  0.530641D+01  0.781718D-01  0.399293D+00
                66            67            68            69            70 
      1   0.781718D-01  0.108454D+02  0.636227D+01  0.748106D+00  0.572213D+01
      2   0.399293D+00  0.636227D+01 -0.192493D+01  0.216818D+01  0.131401D+01
      3   0.243054D+01  0.748106D+00  0.216818D+01  0.569027D+00  0.367694D+01
                71            72            73            74            75 
      1   0.131401D+01  0.367694D+01  0.598364D+01 -0.248358D+01 -0.121556D+01
      2   0.319427D+01  0.612086D+00 -0.248358D+01 -0.349691D+01 -0.703905D+00
      3   0.612086D+00 -0.712810D+01 -0.121556D+01 -0.703905D+00 -0.187098D+01
                76            77            78            79            80 
      1  -0.363718D+01 -0.387777D+01 -0.893935D+00 -0.225157D+01 -0.917940D+00
      2  -0.387777D+01  0.127684D+00 -0.287341D+01 -0.917940D+00 -0.398228D+01
      3  -0.893935D+00 -0.287341D+01 -0.108473D+01 -0.263150D+01 -0.193000D+01
                81            82            83            84            85 
      1  -0.263150D+01  0.589852D+01 -0.187022D+01 -0.579194D+00 -0.381697D+01
      2  -0.193000D+01 -0.187022D+01 -0.341915D+01 -0.573118D+00 -0.543651D+01
      3   0.532373D+01 -0.579194D+00 -0.573118D+00 -0.280147D+01 -0.850609D+00
                86            87            88            89            90 
      1  -0.543651D+01 -0.850609D+00 -0.197470D+01 -0.906108D+00 -0.446330D+01
      2   0.225323D+01 -0.372703D+01 -0.906108D+00 -0.382980D+01 -0.337073D+00
      3  -0.372703D+01 -0.485727D+00 -0.446330D+01 -0.337073D+00  0.459984D+01
                91            92            93            94            95 
      1   0.402107D+01  0.244305D+01  0.368996D+00 -0.244439D+00  0.579551D+01
      2   0.244305D+01  0.212428D+01  0.105215D+01  0.579551D+01 -0.331417D+01
      3   0.368996D+00  0.105215D+01  0.136357D+01  0.185876D+01  0.139881D+00
                96            97            98            99           100 
      1   0.185876D+01  0.380880D+01  0.179281D+01  0.188800D+01  0.259488D+01
      2   0.139881D+00  0.179281D+01  0.210489D+01  0.198099D+01 -0.161037D+01
      3   0.155895D+01  0.188800D+01  0.198099D+01 -0.408555D+01  0.167548D+01
               101           102           103           104           105 
      1  -0.161037D+01  0.167548D+01 -0.155389D+01 -0.883887D+00 -0.131181D+01
      2   0.862172D-02 -0.869827D+00 -0.883887D+00  0.365094D+01  0.881050D-02
      3  -0.869827D+00  0.381047D+00 -0.131181D+01  0.881050D-02 -0.168190D+01
               106           107           108           109           110 
      1   0.274650D+01 -0.250122D+01  0.146259D+01 -0.531299D+01  0.204895D+01
      2  -0.250122D+01  0.165195D+01 -0.263534D+01  0.204895D+01 -0.139899D+01
      3   0.146259D+01 -0.263534D+01  0.288673D+01 -0.352563D+01  0.700802D+00
               111           112           113           114           115 
      1  -0.352563D+01  0.302363D+01 -0.233103D+01  0.126033D+01 -0.780624D+01
      2   0.700802D+00 -0.233103D+01  0.242709D+01 -0.220637D+01  0.292736D+01
      3  -0.185087D+01  0.126033D+01 -0.220637D+01  0.203021D+01 -0.326049D+01
               116           117           118           119           120 
      1   0.292736D+01 -0.326049D+01  0.925325D+00 -0.341653D-01  0.125703D+01
      2  -0.424732D+01  0.212108D+01 -0.341653D-01  0.221890D+01  0.412785D+00
      3   0.212108D+01 -0.745387D+01  0.125703D+01  0.412785D+00  0.254322D+00
               121           122           123           124           125 
      1   0.199785D-01  0.222774D+01  0.134712D+00  0.342743D+01 -0.124311D+01
      2   0.222774D+01 -0.589829D+01  0.835452D+00 -0.124311D+01  0.296979D+01
      3   0.134712D+00  0.835452D+00  0.256380D+00 -0.103399D+01  0.262927D+01
               126           127           128           129           130 
      1  -0.103399D+01  0.195318D+01  0.612239D+00 -0.197353D+01  0.283737D+00
      2   0.262927D+01  0.612239D+00  0.285236D+00 -0.424889D+00  0.135062D+00
      3   0.462765D+01 -0.197353D+01 -0.424889D+00  0.211945D+01 -0.651115D+00
               131           132           133           134           135 
      1   0.135062D+00 -0.651115D+00 -0.226140D+01 -0.880215D+00  0.262401D+01
      2   0.388789D+00 -0.581843D+00 -0.880215D+00 -0.118939D+01  0.169985D+01
      3  -0.581843D+00  0.219456D+01  0.262401D+01  0.169985D+01 -0.702598D+01
               136           137           138           139           140 
      1  -0.373316D+01  0.990389D+00 -0.183952D+01  0.152414D+01 -0.574177D+00
      2   0.990389D+00 -0.723806D+00  0.583956D+00 -0.574177D+00  0.574435D+00
      3  -0.183952D+01  0.583956D+00 -0.177997D+01  0.110994D+01 -0.593769D+00
               141           142           143           144           145 
      1   0.110994D+01 -0.246076D+01  0.927294D+00 -0.249381D+01 -0.206099D+01
      2  -0.593769D+00  0.927294D+00 -0.120254D+01  0.141579D+01 -0.659955D+00
      3   0.172239D+01 -0.249381D+01  0.141579D+01 -0.441593D+01  0.208515D+01
               146           147           148           149           150 
      1  -0.659955D+00  0.208515D+01 -0.464312D+00 -0.156943D+00  0.706997D+00
      2  -0.355530D+00  0.658307D+00 -0.156943D+00 -0.565227D+00  0.786416D+00
      3   0.658307D+00 -0.224281D+01  0.706997D+00  0.786416D+00 -0.232955D+01
               151           152           153           154           155 
      1   0.207243D+01  0.104274D+01 -0.270069D+01  0.363792D+01 -0.114543D+01
      2   0.104274D+01  0.157304D+01 -0.239770D+01 -0.114543D+01  0.917093D+00
      3  -0.270069D+01 -0.239770D+01  0.733062D+01  0.251239D+01 -0.112388D+01
               156           157           158           159           160 
      1   0.251239D+01 -0.185453D+01  0.719055D+00 -0.139133D+01  0.265979D+01
      2  -0.112388D+01  0.719055D+00 -0.806604D+00  0.890860D+00 -0.125961D+01
      3   0.230842D+01 -0.139133D+01  0.890860D+00 -0.205929D+01  0.288426D+01
               161           162           163           164           165 
      1  -0.125961D+01  0.288426D+01  0.112016D+01 -0.252353D-01 -0.144055D+01
      2   0.162904D+01 -0.211554D+01 -0.252353D-01  0.717334D+00  0.284572D+00
      3  -0.211554D+01  0.497676D+01 -0.144055D+01  0.284572D+00  0.134822D+01
               166           167           168           169           170 
      1   0.166396D+01  0.114399D+01 -0.920188D-01 -0.366135D+01  0.122073D+00
      2   0.114399D+01 -0.347522D+00 -0.639603D+00  0.122073D+00 -0.115348D+01
      3  -0.920188D-01 -0.639603D+00  0.179410D+00  0.238233D+01 -0.116044D+01
               171           172           173           174           175 
      1   0.238233D+01  0.405927D+01 -0.182845D+01  0.620871D+00 -0.418458D+01
      2  -0.116044D+01 -0.182845D+01  0.230037D+01 -0.509399D-01  0.338408D+01
      3  -0.617665D+01  0.620871D+00 -0.509399D-01  0.366646D+00 -0.190786D+00
               176           177           178           179           180 
      1   0.338408D+01 -0.190786D+00  0.473581D+01 -0.419566D+00  0.101780D+01
      2  -0.650293D+01  0.812885D+00 -0.419566D+00  0.204224D+01 -0.102649D+01
      3   0.812885D+00 -0.759324D+00  0.101780D+01 -0.102649D+01  0.274004D+00
               181           182           183           184           185 
      1  -0.603038D+00 -0.735524D+00  0.120882D+01 -0.153790D+01 -0.815662D+00
      2  -0.735524D+00 -0.798969D+00 -0.508957D-01 -0.815662D+00  0.181706D+00
      3   0.120882D+01 -0.508957D-01 -0.964674D+00  0.959532D-01  0.644764D+00
               186           187           188           189           190 
      1   0.959532D-01  0.221358D+01  0.138098D+00 -0.605093D+00 -0.865938D+01
      2   0.644764D+00  0.138098D+00  0.104400D+01 -0.511164D-01  0.597862D+00
      3  -0.842178D-01 -0.605093D+00 -0.511164D-01  0.709157D+01  0.481477D+00
               191           192           193           194           195 
      1   0.597862D+00  0.481477D+00  0.222676D+00 -0.138896D+01  0.507926D-01
      2  -0.232947D+01  0.781216D-01 -0.138896D+01  0.654947D+00  0.321069D+00
      3   0.781216D-01 -0.669588D+00  0.507926D-01  0.321069D+00  0.404485D+00
               196           197           198           199           200 
      1   0.552442D+00 -0.130906D+00 -0.311258D+00  0.388854D+00  0.619886D+00
      2  -0.130906D+00  0.605667D+00  0.561942D+00  0.619886D+00  0.907960D+00
      3  -0.311258D+00  0.561942D+00 -0.271913D+00 -0.977977D+00 -0.296729D+00
               201           202           203           204           205 
      1  -0.977977D+00  0.298380D+00  0.557184D+00 -0.689978D-01 -0.180548D+01
      2  -0.296729D+00  0.557184D+00  0.771256D+00 -0.656837D+00 -0.550263D+00
      3   0.134306D+01 -0.689978D-01 -0.656837D+00  0.547404D+00  0.146938D+01
               206           207           208           209           210 
      1  -0.550263D+00  0.146938D+01  0.237440D+01  0.262765D+01  0.934105D+00
      2  -0.200292D+01  0.191252D+01  0.262765D+01  0.341370D+01  0.758668D+00
      3   0.191252D+01 -0.663342D+01  0.934105D+00  0.758668D+00  0.990488D+00
               211           212           213           214           215 
      1   0.236739D+01  0.326582D+01  0.862595D+00  0.189449D+01  0.153446D+01
      2   0.326582D+01  0.667948D+01  0.190531D+01  0.153446D+01  0.344158D+01
      3   0.862595D+00  0.190531D+01  0.136239D+01  0.125346D+01  0.183887D+01
               216           217           218           219           220 
      1   0.125346D+01  0.183003D+01  0.136044D+00 -0.145942D+01  0.426370D+00
      2   0.183887D+01  0.136044D+00  0.612220D+00  0.611760D-01  0.111268D+01
      3   0.110155D+01 -0.145942D+01  0.611760D-01  0.162419D+01 -0.187955D-01
               221           222           223           224           225 
      1   0.111268D+01 -0.187955D-01 -0.446498D+01  0.106290D+00  0.334891D+01
      2  -0.156035D+00 -0.410986D+00  0.106290D+00 -0.982518D+00 -0.244707D-01
      3  -0.410986D+00  0.150073D+00  0.334891D+01 -0.244707D-01 -0.608704D+01
               226           227           228           229           230 
      1   0.181168D+01 -0.163003D+01  0.818406D+00 -0.396554D+01  0.334783D+01
      2  -0.163003D+01  0.174080D+01 -0.501641D+00  0.334783D+01 -0.579924D+01
      3   0.818406D+00 -0.501641D+00  0.829159D+00 -0.103210D+01  0.194191D+01
               231           232           233           234           235 
      1  -0.103210D+01  0.194951D+01 -0.937945D+00  0.158296D+01  0.478910D+01
      2   0.194191D+01 -0.937945D+00  0.218562D+01 -0.126746D+01  0.242674D+01
      3  -0.156180D+01  0.158296D+01 -0.126746D+01  0.105441D+01  0.172632D+01
               236           237           238           239           240 
      1   0.242674D+01  0.172632D+01  0.565432D+01  0.350989D+01  0.161884D+01
      2   0.197112D+01  0.919336D+00  0.350989D+01  0.339403D+01  0.177662D+01
      3   0.919336D+00  0.138872D+01  0.161884D+01  0.177662D+01  0.163454D+01
               241           242           243           244           245 
      1   0.371676D+01  0.149512D+01  0.244407D+01  0.403207D+00 -0.817229D+00
      2   0.149512D+01  0.199163D+01  0.131874D+01 -0.817229D+00 -0.493695D+00
      3   0.244407D+01  0.131874D+01  0.158368D+01  0.134083D+01  0.682707D-01
               246           247           248           249           250 
      1   0.134083D+01 -0.121893D+01 -0.101551D+01  0.176908D+00  0.263532D+01
      2   0.682707D-01 -0.101551D+01 -0.624427D+00  0.106406D+01  0.231920D+00
      3  -0.110916D+01  0.176908D+00  0.106406D+01 -0.123070D+01 -0.192527D+01
               251           252           253           254           255 
      1   0.231920D+00 -0.192527D+01  0.819758D+01 -0.235159D+00 -0.175936D+01
      2   0.146663D+01 -0.108967D+01 -0.235159D+00 -0.361265D+01 -0.809855D+00
      3  -0.108967D+01  0.595328D+01 -0.175936D+01 -0.809855D+00 -0.114354D+01
               256           257           258           259           260 
      1  -0.457214D+01 -0.394594D+01 -0.127970D+01 -0.621832D+01 -0.160245D+01
      2  -0.394594D+01  0.343626D+01 -0.146891D+01 -0.160245D+01 -0.264371D+01
      3  -0.127970D+01 -0.146891D+01 -0.189195D+01 -0.162959D+01 -0.147076D+01
               261           262           263           264           265 
      1  -0.162959D+01 -0.113992D+01  0.157873D+01  0.514442D+00  0.178682D+01
      2  -0.147076D+01  0.157873D+01 -0.216256D+01 -0.498307D+00 -0.304548D+01
      3   0.365332D+01  0.514442D+00 -0.498307D+00 -0.450455D+00 -0.588217D+00
               266           267           268           269           270 
      1  -0.304548D+01 -0.588217D+00 -0.296177D+00  0.584064D+00 -0.229318D+00
      2   0.954964D+01  0.180941D+01  0.584064D+00 -0.146807D+01  0.547888D+00
      3   0.180941D+01  0.165899D+01 -0.229318D+00  0.547888D+00  0.438023D+00
               271           272           273           274           275 
      1  -0.150574D+02 -0.224424D+01  0.174605D+00  0.270703D+00 -0.103888D+01
      2  -0.224424D+01 -0.150771D+01 -0.148324D+00 -0.103888D+01 -0.580275D+00
      3   0.174605D+00 -0.148324D+00 -0.106241D+01  0.928048D-01  0.202468D+00
               276           277           278           279           280 
      1   0.928048D-01  0.223550D+01  0.489777D+00 -0.114377D+01  0.544497D-01
      2   0.202468D+00  0.489777D+00  0.643347D+00 -0.527010D-01 -0.788575D+00
      3   0.226152D+00 -0.114377D+01 -0.527010D-01  0.323767D-01  0.307955D+00
               281           282           283           284           285 
      1  -0.788575D+00  0.307955D+00 -0.152297D+01 -0.664715D-01 -0.332469D-01
      2   0.226635D+01  0.216915D+00 -0.664715D-01 -0.830821D+01  0.492829D-01
      3   0.216915D+00  0.439770D+00 -0.332469D-01  0.492829D-01 -0.914482D+00
               286           287           288           289           290 
      1   0.991618D+00  0.310159D+00  0.794342D-01 -0.361809D+00  0.269672D+00
      2   0.310159D+00  0.132831D+01 -0.721852D+00  0.269672D+00  0.489587D+00
      3   0.794342D-01 -0.721852D+00 -0.852106D-01 -0.534218D+00  0.212162D+00
               291           292           293           294           295 
      1  -0.534218D+00  0.115692D+01  0.374368D+00  0.187827D+00 -0.198075D+01
      2   0.212162D+00  0.374368D+00  0.221955D+00 -0.366636D+00 -0.354295D+00
      3   0.351748D+00  0.187827D+00 -0.366636D+00  0.717684D+00 -0.701466D+00
               296           297 
      1  -0.354295D+00 -0.701466D+00
      2  -0.138629D+01 -0.268346D+00
      3  -0.268346D+00 -0.620227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146049D+01 -0.226439D+01  0.140190D+01 -0.677175D+01 -0.237471D+01
      2   0.324089D+01 -0.224216D+01  0.961123D+01 -0.240580D+01  0.163318D+01
      3   0.165288D+02 -0.156414D+01  0.288311D+01  0.802545D+01 -0.157862D+01
                 6             7             8             9            10 
      1  -0.213766D+01 -0.144362D+01  0.214730D+01 -0.138214D+00 -0.126979D+01
      2  -0.337998D+01 -0.451992D+01 -0.122211D+01  0.258610D+01 -0.491963D-01
      3   0.231024D+01  0.139668D+02  0.495790D+00  0.289623D+01 -0.293110D+02
                11            12            13            14            15 
      1   0.108749D+00  0.169048D+01  0.213498D+01  0.434060D+01 -0.857283D+01
      2   0.695874D+00 -0.394811D+01  0.501002D+01  0.213127D+00  0.856098D+00
      3  -0.920589D+00  0.508841D+00  0.110389D+02 -0.151067D+01 -0.461916D+00
                16            17            18            19            20 
      1  -0.323486D+01 -0.201045D+01 -0.501793D+01 -0.502395D+00  0.169572D+01
      2  -0.249561D+02 -0.169233D+01 -0.311730D+01 -0.422856D+01 -0.197436D+01
      3  -0.132024D+01 -0.151540D+01 -0.145945D+01 -0.100361D+02 -0.164098D+01
                21            22            23            24            25 
      1  -0.141716D+01  0.568100D+01 -0.187272D+01 -0.339706D+01  0.477167D+01
      2   0.276023D+01 -0.412416D+01 -0.198285D+01  0.109968D+01 -0.107890D+01
      3   0.239843D+01  0.794497D+01  0.144508D+01 -0.274293D+01  0.165552D+02
                26            27            28            29            30 
      1   0.191033D+01 -0.161666D+01  0.135778D+01  0.507722D+00 -0.274425D+01
      2   0.862683D+00 -0.119595D+01  0.883821D+00  0.217457D+01 -0.358597D+01
      3  -0.108348D+01 -0.439711D+01  0.255673D+02  0.926721D+00 -0.258468D+01
                31            32            33            34            35 
      1  -0.152020D+01  0.461157D+01 -0.878528D+01 -0.496911D+01 -0.145650D+01
      2   0.460288D+01  0.136533D+00  0.241733D+01 -0.259687D+02  0.298770D+01
      3   0.907329D+01  0.511282D+01  0.838862D+00 -0.595695D+01 -0.181395D+01
                36            37            38            39            40 
      1  -0.349567D+01 -0.197811D+01 -0.105290D+01 -0.147104D+01 -0.570915D+01
      2  -0.187343D+01  0.673624D+00 -0.257145D+01  0.870593D+01 -0.309606D+01
      3   0.201463D+01 -0.130130D+02 -0.553158D+00  0.290707D+01  0.139391D+02
                41            42            43            44            45 
      1   0.115476D+01  0.814027D+00 -0.198511D+01  0.380361D+01  0.273777D+01
      2   0.161263D+01 -0.217140D+01 -0.704216D+01 -0.938912D+00  0.246717D+01
      3  -0.795869D+00  0.239164D+01 -0.990467D+01  0.339744D+01  0.153893D+01
                46            47            48            49            50 
      1   0.111980D+01  0.163317D+01  0.292949D+01  0.839013D+01  0.120586D+01
      2  -0.245385D+01 -0.203810D+01  0.339652D+01 -0.382909D+01 -0.180648D+01
      3   0.124845D+02 -0.197432D+01 -0.505597D+00  0.136817D+02  0.150421D+01
                51            52            53            54            55 
      1  -0.255971D+01  0.267985D+01  0.360555D+01  0.733751D+00 -0.155017D+01
      2   0.106733D+01 -0.180513D+01  0.145801D+01 -0.157039D+01 -0.412446D+01
      3  -0.435910D+01 -0.104401D+02 -0.154542D+01 -0.136268D+01  0.157491D+02
                56            57            58            59            60 
      1  -0.101638D+00 -0.521577D+00 -0.248399D+00 -0.535058D+01 -0.883469D+00
      2   0.231682D+00 -0.794812D+00 -0.182517D+01 -0.104124D+02  0.108586D+01
      3   0.100290D+02  0.686768D+00  0.347708D+02 -0.693823D+00  0.612831D+01
                61            62            63            64            65 
      1  -0.265989D-01  0.390832D+01  0.453788D+01  0.198587D+01  0.102808D+01
      2  -0.204553D+02  0.276752D+00  0.202894D+02  0.479995D+01  0.157718D+01
      3   0.947948D+01  0.111743D+02  0.174084D+01 -0.201576D+02 -0.198095D+02
                66            67            68            69            70 
      1  -0.159570D+01 -0.514719D+00 -0.177244D+01 -0.185884D+01  0.441882D+00
      2   0.124103D+02  0.471211D+01  0.104688D+02  0.468361D+00  0.118720D+02
      3  -0.182608D+01 -0.251220D+02  0.720121D+01 -0.887883D+01 -0.100472D+02
                71            72            73            74            75 
      1   0.455448D+01  0.410618D+01  0.228091D+01  0.220056D+01  0.469908D+01
      2   0.333558D+01 -0.326926D+02 -0.139749D+01 -0.409442D+01 -0.487871D+01
      3  -0.133540D+02 -0.259250D+01  0.253585D+02  0.378942D+01  0.602079D+00
                76            77            78            79            80 
      1   0.292713D+01  0.905875D+01  0.181565D+01  0.647821D+01  0.800424D+01
      2  -0.510234D+01 -0.106505D+02 -0.394020D+01 -0.114761D+02 -0.666249D+01
      3   0.982684D+01 -0.786128D+01  0.849537D+01  0.109648D+01  0.118925D+02
                81            82            83            84            85 
      1  -0.114513D+02 -0.384144D+00 -0.253110D+00  0.242600D+00 -0.884625D-01
      2   0.181173D+02 -0.627445D+01 -0.251794D+01 -0.146547D+02 -0.392952D+01
      3   0.299600D+01  0.970170D+01  0.180299D+02  0.308265D+01  0.359646D+02
                86            87            88            89            90 
      1   0.111770D+01 -0.213468D+01  0.578230D+00  0.893666D+00 -0.108353D+01
      2  -0.208295D+02 -0.115558D+01 -0.295355D+02 -0.159761D+01  0.268441D+02
      3  -0.138263D+02  0.215277D+02  0.472656D+01  0.214569D+02  0.204159D+01
                91            92            93            94            95 
      1   0.803827D+00  0.581294D+00  0.210285D+01  0.213281D+01 -0.159660D+01
      2  -0.390335D+01 -0.381771D+01 -0.612285D+00 -0.407378D+01 -0.340308D+01
      3  -0.174419D+01  0.130714D+01  0.331977D+01  0.322237D+02 -0.155656D+02
                96            97            98            99           100 
      1  -0.308518D+01  0.289468D+01  0.513222D+01 -0.124509D+01 -0.800954D+00
      2  -0.708378D+01 -0.156807D+02 -0.691390D+01  0.148015D+02  0.130946D+01
      3  -0.596914D+00  0.229519D+01  0.508793D+01  0.531052D+01  0.124208D+02
               101           102           103           104           105 
      1  -0.541878D+01 -0.516127D+01 -0.323094D+00 -0.124690D+00  0.217860D+01
      2   0.351117D+01  0.475813D+01  0.212342D+01  0.172343D+01  0.132157D+02
      3  -0.139045D+02 -0.508053D+01 -0.707720D+01  0.354932D+01  0.232336D+01
               106           107           108           109           110 
      1  -0.672074D+01  0.340336D+00 -0.362931D+01  0.404133D+01  0.287615D+01
      2  -0.453914D+01  0.106637D+02 -0.169932D+02  0.968427D+01 -0.265358D+01
      3  -0.102801D+02  0.121678D+02 -0.720919D+01 -0.608138D+00 -0.451864D+01
               111           112           113           114           115 
      1   0.391960D+01 -0.407837D+00  0.293591D+00 -0.651136D+01  0.386254D+01
      2   0.894683D+01 -0.903115D+00  0.760503D+01 -0.105997D+02  0.494335D+01
      3   0.711868D+00 -0.440996D+01  0.115689D+02 -0.784181D+01  0.110601D+02
               116           117           118           119           120 
      1   0.502591D+01  0.111230D+02 -0.358024D+01  0.263989D+01  0.104694D+00
      2  -0.686236D+01  0.305237D+02 -0.563170D+01 -0.911166D+00  0.747331D-01
      3  -0.185387D+02  0.615199D+01 -0.119884D+01  0.702379D+01  0.408341D+01
               121           122           123           124           125 
      1   0.122867D+01 -0.557088D+01 -0.284096D+01 -0.198183D+01  0.697721D+01
      2  -0.231539D+01 -0.478436D+01 -0.206459D+01 -0.158590D+01 -0.779000D+01
      3   0.817214D+01 -0.151733D+02  0.314971D+01 -0.198099D+01  0.937803D+01
               126           127           128           129           130 
      1  -0.701718D+01 -0.177961D+01 -0.193542D+01  0.937038D+00 -0.223387D+00
      2  -0.154886D+02  0.431148D+01  0.882374D+00 -0.923496D+00  0.489114D+00
      3   0.861491D+01 -0.186233D+00 -0.980431D+00  0.815301D+00  0.106734D+01
               131           132           133           134           135 
      1  -0.126098D+01 -0.286364D+00  0.266547D+01  0.530754D+01 -0.461585D+01
      2  -0.493004D-01  0.618125D+00 -0.473952D+01 -0.353363D+00 -0.173147D+01
      3  -0.439598D+00  0.401763D+00  0.815276D+00  0.215031D+01 -0.153078D+01
               136           137           138           139           140 
      1  -0.212928D+01  0.292362D+01 -0.684288D+00  0.111845D+01 -0.122455D+01
      2  -0.806013D+01  0.149344D+01 -0.786297D+00  0.171262D+01 -0.594553D+00
      3   0.395239D+00 -0.162572D+01  0.758332D+00  0.571537D+00  0.116522D+01
               141           142           143           144           145 
      1  -0.639993D+00 -0.193726D+01  0.402305D+01 -0.251461D+01  0.170546D+01
      2   0.180284D-01 -0.432713D+01  0.517954D+00  0.103085D+01  0.416427D+01
      3  -0.412683D+00  0.669336D+00 -0.259386D+01  0.165835D+01  0.267838D+01
               146           147           148           149           150 
      1  -0.937223D+00 -0.221908D+01  0.972053D+00 -0.215102D-02 -0.355441D+01
      2   0.440539D+00 -0.865527D+00  0.477799D+00 -0.166931D+00  0.622941D+00
      3  -0.112714D+00 -0.198359D+01  0.171100D+01 -0.374091D+00 -0.504460D+00
               151           152           153           154           155 
      1  -0.159953D+01  0.241346D+01  0.525569D+01  0.233013D+01  0.132703D+01
      2  -0.444314D+01 -0.276255D+00 -0.123234D+01 -0.534999D+01  0.259823D+00
      3  -0.228203D+01  0.916096D+00  0.178289D+01 -0.493470D+01 -0.838278D+00
               156           157           158           159           160 
      1   0.216872D+01 -0.134064D+01  0.154073D+00 -0.369337D+01  0.226084D+01
      2  -0.227217D+00  0.115287D+01  0.167292D+00 -0.921521D+00 -0.305929D+01
      3  -0.217383D+01  0.388835D+01  0.683609D+00  0.848984D+00 -0.288991D+01
               161           162           163           164           165 
      1   0.157112D+01  0.394075D+01 -0.131410D+01 -0.676082D+00  0.108018D+01
      2  -0.153862D+00  0.203061D+01 -0.492602D+01  0.638273D+00  0.539739D+01
      3  -0.131191D+01 -0.180560D+01 -0.171777D+01 -0.348347D+01  0.556189D+00
               166           167           168           169           170 
      1   0.109240D-01 -0.348389D+00 -0.913274D+00  0.219517D+01  0.228053D+01
      2   0.500706D+00 -0.104531D+01  0.946228D+00  0.209947D+01 -0.382446D+01
      3  -0.318704D+01  0.104216D+00  0.159788D+01  0.307444D+01  0.411760D+01
               171           172           173           174           175 
      1  -0.622721D+01  0.101015D+01 -0.984105D+00  0.138707D+01 -0.161154D+01
      2  -0.202422D+02  0.474392D+01 -0.137960D+01  0.321873D+01 -0.256135D+01
      3   0.322216D+00  0.124818D+01 -0.716102D+01 -0.274124D+00 -0.374847D+01
               176           177           178           179           180 
      1   0.349087D+01 -0.345144D+01  0.146940D+01 -0.115264D+01  0.108701D+01
      2   0.554158D+01 -0.361487D+01  0.328892D+01 -0.389144D+01  0.812404D+00
      3   0.177764D+02 -0.193226D+01 -0.332773D+01 -0.668726D+01  0.183053D+01
               181           182           183           184           185 
      1  -0.223548D+01 -0.141582D+01  0.804480D+00 -0.924350D+00 -0.366626D+00
      2   0.746414D+01  0.682707D+00 -0.437652D+01  0.195033D+01  0.333912D+01
      3   0.247183D+01  0.243353D+01  0.358700D+00  0.508542D+01 -0.718214D+00
               186           187           188           189           190 
      1  -0.628968D+00  0.141221D+01  0.350351D+01 -0.383575D+01  0.339679D+00
      2  -0.878129D+00 -0.829959D+01 -0.977731D+00  0.291334D+02 -0.148288D+01
      3  -0.252176D+01 -0.102395D-01 -0.363547D+01 -0.156856D+00 -0.258616D+02
               191           192           193           194           195 
      1   0.579208D+00  0.230578D+01  0.288543D+00 -0.687054D+00 -0.119129D+01
      2   0.328274D+00 -0.255858D+00  0.258968D+00  0.693530D+00  0.279657D+00
      3   0.639268D+01  0.814398D+00  0.667402D+01 -0.385342D+01 -0.116604D+01
               196           197           198           199           200 
      1   0.218430D+01  0.504988D+00  0.654191D+00  0.205798D+01 -0.111939D+00
      2  -0.335369D+01  0.115971D+01 -0.985443D+00 -0.311221D+01 -0.109084D+01
      3   0.110919D+01 -0.222770D+01 -0.273960D+01 -0.228363D+01 -0.325256D+01
               201           202           203           204           205 
      1  -0.284359D+01  0.210057D+00  0.106063D+01 -0.228522D+01 -0.282936D+01
      2   0.493569D+01 -0.189404D+00 -0.186066D+01  0.127580D+01  0.684994D+00
      3  -0.282938D+00 -0.338555D+00 -0.149491D+01  0.185191D+01 -0.217201D+01
               206           207           208           209           210 
      1  -0.108938D+00  0.147971D+02 -0.266142D+01 -0.220801D+01 -0.392420D+01
      2   0.606873D+01 -0.222752D+02  0.348286D+01  0.318909D+01  0.481621D+01
      3   0.708060D+01 -0.499011D+01 -0.444416D+01 -0.926370D+01 -0.803059D+00
               211           212           213           214           215 
      1  -0.329446D+01 -0.540969D+01 -0.587995D+01 -0.338388D+01 -0.326406D+01
      2   0.310046D+01  0.733395D+01  0.595625D+01  0.346150D+01  0.668749D+01
      3  -0.322036D+01 -0.184624D+02 -0.483074D+01 -0.833342D+00 -0.102108D+02
               216           217           218           219           220 
      1  -0.345314D+01  0.247337D+00 -0.433349D+00 -0.417718D-01  0.131771D+00
      2   0.424127D+01 -0.866667D+01  0.248293D+00  0.107556D+02 -0.106570D+00
      3  -0.435933D+01 -0.668288D+00 -0.440010D+01 -0.350321D+00 -0.454268D+01
               221           222           223           224           225 
      1   0.249859D-01 -0.878855D+00 -0.590039D+00  0.261541D+01  0.930803D+00
      2  -0.217027D+01  0.757689D+00  0.155899D+02 -0.748043D-01 -0.357519D+02
      3   0.903866D+00  0.186827D+01 -0.743172D+00  0.641827D+01 -0.166665D+00
               226           227           228           229           230 
      1  -0.660954D+00  0.697174D+00  0.476688D+00  0.831267D+00 -0.243912D+01
      2   0.410847D+01 -0.239983D+01  0.525353D+01 -0.390703D+01  0.103798D+02
      3   0.874885D+01 -0.108951D+02  0.286475D+01 -0.147323D+02  0.330139D+02
               231           232           233           234           235 
      1  -0.175365D+01 -0.267351D+00  0.181433D+01  0.221925D+00  0.278947D+00
      2  -0.973284D+01  0.651639D+01 -0.682670D+01  0.542136D+01  0.794892D+01
      3  -0.108348D+02  0.437515D+01 -0.126845D+02  0.665901D+01 -0.120313D+02
               236           237           238           239           240 
      1   0.831358D+00 -0.954944D+00  0.286418D+00  0.119643D+01 -0.163911D+01
      2   0.442060D+01  0.946344D+01  0.678110D+01  0.915315D+01  0.100265D+02
      3  -0.130173D+02 -0.500970D+01 -0.162386D+02 -0.197451D+02 -0.983404D+01
               241           242           243           244           245 
      1  -0.565249D+00  0.152282D+01 -0.713837D+00  0.346513D+00 -0.394810D+00
      2   0.109702D+02  0.692572D+01  0.845792D+01 -0.576343D+01  0.714713D-01
      3  -0.704665D+01 -0.119929D+02 -0.700547D+01 -0.276638D+01 -0.190284D+01
               246           247           248           249           250 
      1  -0.847059D+00 -0.879168D-01  0.614700D-01 -0.959249D+00 -0.123388D+01
      2   0.379861D+01  0.292310D+00 -0.266853D+01  0.427429D+01  0.119764D+01
      3  -0.526610D+00 -0.867179D+00 -0.123194D+01  0.283646D+01 -0.117104D+01
               251           252           253           254           255 
      1   0.274647D+01  0.320724D+01 -0.235079D+01  0.101975D+01 -0.244592D+01
      2   0.366961D+01 -0.187444D+02  0.148324D+02  0.405194D+01  0.672005D+01
      3   0.396116D+01 -0.225620D+01 -0.157566D+02 -0.163747D+02 -0.249650D+00
               256           257           258           259           260 
      1  -0.151404D+01 -0.630406D+01 -0.378526D+01 -0.104848D+01  0.100980D+01
      2   0.529418D+01  0.532879D+01  0.647267D+01  0.500536D+01  0.558674D+01
      3  -0.820026D+01  0.202336D+02 -0.421906D+01  0.759117D+00 -0.704210D+01
               261           262           263           264           265 
      1   0.895750D+01  0.102317D+01 -0.157787D+01  0.693419D+00 -0.287661D+01
      2  -0.181746D+02 -0.649490D+00  0.339900D+00  0.125632D+01  0.843338D-01
      3  -0.466449D+01  0.335085D+01 -0.516758D+01 -0.183080D+01 -0.512252D+01
               266           267           268           269           270 
      1   0.908806D+01 -0.207128D+01  0.490844D+00 -0.109584D+01  0.110396D+01
      2  -0.342818D+01 -0.531844D+01  0.387095D+00 -0.177247D+01 -0.866355D+00
      3   0.293562D+02  0.562322D+01  0.157844D+01 -0.515327D+01  0.160609D+01
               271           272           273           274           275 
      1   0.118387D+01  0.597233D+00 -0.237316D+01  0.829562D+00  0.691995D+00
      2  -0.777528D+01 -0.280268D+00  0.809340D+01 -0.846088D+00 -0.135979D+01
      3   0.144377D+02 -0.611932D+01 -0.109957D+01 -0.318838D+01 -0.904475D+00
               276           277           278           279           280 
      1  -0.237124D+00 -0.199123D+01  0.585955D+00 -0.107423D+00  0.139554D+01
      2  -0.456051D+00  0.428501D+01 -0.399201D-01 -0.204895D+00 -0.105513D+01
      3   0.831847D+00 -0.142038D+01  0.197091D+01  0.166946D+01 -0.501334D+01
               281           282           283           284           285 
      1  -0.873878D+00  0.174413D+01 -0.457369D+00  0.508985D+01 -0.425111D+01
      2  -0.993311D+00 -0.135955D+01 -0.818607D+00 -0.476147D-01  0.307118D+01
      3   0.890205D+01 -0.188262D+00  0.572831D+01 -0.307389D+02  0.718148D+00
               286           287           288           289           290 
      1   0.711814D+00 -0.103350D+01  0.481702D+00 -0.177135D+01 -0.607385D+00
      2  -0.163691D+01  0.239576D+01  0.442454D+00  0.427466D+01 -0.295687D-01
      3  -0.123725D+01  0.434841D+01 -0.277040D+01  0.141104D+01  0.103733D+01
               291           292           293           294           295 
      1   0.556813D+00 -0.278681D+00 -0.217884D+01  0.982492D+00 -0.108785D+00
      2  -0.202771D+01  0.149026D+01  0.193045D+01 -0.321269D+01 -0.219642D+01
      3   0.117088D+01  0.100552D+01  0.529304D+00 -0.158373D+01  0.150337D+01
               296           297 
      1   0.352877D+01 -0.114670D+02
      2   0.952442D-01  0.249180D+02
      3  -0.462338D+01  0.632264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250058D+01 -0.843478D+01  0.228511D+02  0.169042D+02 -0.339803D+01
      2   0.686301D+01  0.351216D+01 -0.835625D+01 -0.433917D+01  0.446182D+01
      3  -0.436243D+01  0.492262D+01 -0.144948D+02 -0.125650D+02 -0.106378D+01
      4  -0.142465D+01  0.238063D+01 -0.395134D-01  0.864050D+01  0.458997D+01
      5   0.199636D+02  0.912828D+00 -0.732817D+01 -0.526863D+01 -0.255153D+01
      6  -0.380476D+00 -0.313455D+01  0.432336D+00 -0.402106D+00  0.357517D+01
                 6             7             8             9            10 
      1  -0.167037D+02 -0.248421D+02 -0.974868D+01  0.389587D+01  0.495163D+02
      2   0.131732D+01  0.415396D+01  0.151890D+01  0.389118D+01 -0.191690D+02
      3   0.153864D+02  0.206882D+02  0.822978D+01 -0.778704D+01 -0.303472D+02
      4  -0.407408D+01  0.377820D+01 -0.241850D+01 -0.488211D+01 -0.120038D+02
      5  -0.350401D+01  0.942348D+01 -0.433346D+01  0.585208D+01 -0.538055D+01
      6   0.122601D+02 -0.713646D+01  0.610327D+01  0.152004D+02  0.226996D+01
                11            12            13            14            15 
      1   0.769122D+01 -0.788284D+00  0.100103D+02 -0.697083D+00  0.624259D+01
      2  -0.675881D+01  0.283519D+01 -0.100040D+02  0.645618D+01 -0.104840D+01
      3  -0.932417D+00 -0.204690D+01 -0.629305D-02 -0.575909D+01 -0.519419D+01
      4   0.144808D+01 -0.345316D+01  0.175655D+02 -0.558458D+01 -0.993627D+00
      5  -0.404937D+01  0.657019D+01  0.110427D+02 -0.881925D+00 -0.199690D+01
      6   0.163526D+00 -0.672221D+01 -0.528140D+01  0.444350D+01  0.877418D+01
                16            17            18            19            20 
      1  -0.871426D+01  0.660269D+01 -0.182559D+02 -0.112893D+01  0.546053D+01
      2  -0.112596D+01  0.526574D+01  0.175453D+01 -0.193928D+01 -0.220283D+01
      3   0.984022D+01 -0.118684D+02  0.165014D+02  0.306821D+01 -0.325771D+01
      4   0.146273D+02  0.910066D+00 -0.183670D+01  0.364702D+01  0.200144D-02
      5  -0.148268D+02 -0.170351D+01 -0.474170D+01 -0.168854D+02  0.246155D+01
      6  -0.426094D+01  0.628455D+00 -0.541669D+01  0.305456D+01  0.508579D+01
                21            22            23            24            25 
      1  -0.275487D+02 -0.100613D+02 -0.538018D+01 -0.612674D+01  0.248031D+02
      2   0.724217D+01 -0.145365D+01  0.653257D+01 -0.163177D+00 -0.144705D+01
      3   0.203065D+02  0.115149D+02 -0.115239D+01  0.628991D+01 -0.233561D+02
      4   0.227266D+01  0.343725D+01 -0.180510D+01  0.383578D+01  0.455924D+01
      5  -0.171222D+01  0.983315D+00  0.214701D+01  0.595248D+01  0.124506D+02
      6   0.543914D+01  0.263371D+01  0.235111D+01  0.809990D+01  0.103163D+02
                26            27            28            29            30 
      1  -0.838260D+01  0.847172D+01  0.163397D+02 -0.904047D+00  0.131855D+01
      2   0.125948D+01 -0.266737D+01 -0.320727D+01  0.545231D+01  0.880540D+00
      3   0.712312D+01 -0.580435D+01 -0.131325D+02 -0.454826D+01 -0.219909D+01
      4   0.364617D+01  0.718753D+01  0.241542D+02  0.229605D+01 -0.209267D+01
      5   0.513477D+01 -0.422961D+01  0.234641D+01 -0.143305D+01  0.692695D+01
      6   0.244166D+01  0.106281D+02  0.382170D+01 -0.139073D+01  0.438471D+01
                31            32            33            34            35 
      1   0.166798D+00 -0.177449D+01  0.794689D+01 -0.892239D+01  0.979460D+01
      2   0.634572D+01  0.508853D+01 -0.220504D+01  0.212666D+01  0.342068D+01
      3  -0.651252D+01 -0.331404D+01 -0.574185D+01  0.679573D+01 -0.132153D+02
      4   0.157242D+02  0.399230D+00  0.206727D+01  0.116602D+02  0.533348D+01
      5   0.120763D+02  0.545773D+00  0.147103D+01 -0.177832D+02  0.238062D+01
      6  -0.993843D+00  0.391964D+01  0.611227D+01 -0.156560D+01  0.985619D+00
                36            37            38            39            40 
      1  -0.214000D+02  0.102335D+02 -0.134687D+02  0.257431D+02  0.439519D+01
      2   0.335699D+01  0.214481D-02  0.120654D+02 -0.126202D+02  0.428042D+01
      3   0.180430D+02 -0.102356D+02  0.140333D+01 -0.131229D+02 -0.867561D+01
      4   0.706026D-02 -0.935871D+01 -0.139569D+01  0.439995D+01  0.153649D+02
      5  -0.263756D+01  0.134725D+02  0.217982D+01 -0.919354D+01 -0.244618D+01
      6  -0.749583D+01 -0.431867D+00 -0.608529D+01  0.604516D+01 -0.476066D+00
                41            42            43            44            45 
      1  -0.111346D+02 -0.719580D+01 -0.186907D+02 -0.493797D+01  0.820056D+01
      2   0.171654D+02 -0.106060D+02  0.176224D+01 -0.357957D+01 -0.125428D+01
      3  -0.603084D+01  0.178018D+02  0.169284D+02  0.851755D+01 -0.694627D+01
      4   0.691350D+01 -0.321142D+01 -0.396830D+01 -0.258135D+01 -0.612866D+01
      5  -0.189354D+01 -0.256865D+01  0.753941D+01 -0.580385D+01  0.800801D+01
      6  -0.666553D+01  0.653568D+01 -0.988555D+01  0.150098D+01  0.871040D+01
                46            47            48            49            50 
      1  -0.898322D+01  0.105105D+02 -0.274829D+02 -0.680476D+01 -0.162545D+02
      2   0.265956D+01 -0.927487D+01  0.883328D+01 -0.523590D+01  0.227500D+02
      3   0.632366D+01 -0.123567D+01  0.186496D+02  0.120407D+02 -0.649548D+01
      4   0.927163D+01  0.469655D+00  0.414117D+01  0.591476D+01 -0.650909D+01
      5  -0.139285D+02  0.491012D+01 -0.291207D+01  0.539358D+01  0.209518D+01
      6   0.373865D+01  0.571548D+01 -0.500100D+01 -0.379752D+00 -0.620934D+01
                51            52            53            54            55 
      1   0.273119D+01  0.366462D+02 -0.412241D+01  0.905295D+01 -0.372891D+02
      2  -0.106161D+02 -0.920032D+01 -0.957353D+00 -0.518043D+01  0.124394D+02
      3   0.788492D+01 -0.274458D+02  0.507976D+01 -0.387252D+01  0.248496D+02
      4   0.125173D+01 -0.429801D+01 -0.178980D+00  0.720681D+01  0.104198D+01
      5   0.646283D+01  0.441990D+01  0.647185D+01 -0.588742D+01 -0.344086D+01
      6   0.425225D+01  0.112409D+02 -0.222178D+01  0.767268D+01  0.222090D+01
                56            57            58            59            60 
      1  -0.949552D+01 -0.402067D+01 -0.390682D+02 -0.290402D+02 -0.422955D+01
      2   0.670813D+01 -0.108074D+01  0.274819D+02  0.342016D+01  0.473718D+01
      3   0.278739D+01  0.510141D+01  0.115863D+02  0.256201D+02 -0.507632D+00
      4  -0.244840D+02 -0.189087D+00 -0.495637D+02  0.260780D+02 -0.123096D+02
      5  -0.607733D+00 -0.103537D+02 -0.391277D+01 -0.125586D+02  0.986827D-01
      6   0.632905D+00  0.130212D+01 -0.682674D+00  0.423123D+01  0.252349D-01
                61            62            63            64            65 
      1  -0.297522D+02 -0.749739D+01 -0.700537D+01 -0.546452D+02  0.157771D+02
      2   0.466987D+01  0.693909D+01  0.121103D+02  0.342231D+02 -0.310719D+01
      3   0.250823D+02  0.558298D+00 -0.510492D+01  0.204220D+02 -0.126699D+02
      4  -0.519034D+01 -0.214165D+02  0.674877D+01  0.171714D+02  0.283204D+02
      5  -0.237452D+02  0.413467D+01  0.389217D+02 -0.647789D+00  0.325496D+01
      6   0.371471D+01 -0.158097D+01 -0.669035D+01  0.864819D+00 -0.250971D+01
                66            67            68            69            70 
      1  -0.132482D+01  0.527051D+02  0.496269D+02 -0.590176D+00  0.210343D+02
      2  -0.200493D+01 -0.226878D+02 -0.280967D+02  0.241122D+01 -0.791528D+01
      3   0.332976D+01 -0.300174D+02 -0.215303D+02 -0.182105D+01 -0.131190D+02
      4   0.275164D+01  0.450839D+02 -0.154576D+02  0.160671D+02  0.639644D+01
      5   0.174238D+02  0.720048D+01  0.182077D+02  0.270433D+01  0.344209D+02
      6   0.309212D+01  0.267870D+01  0.500484D+01 -0.101059D+01  0.281940D+01
                71            72            73            74            75 
      1   0.140055D+01  0.334159D+02  0.522624D+02 -0.656476D+01 -0.787521D+01
      2   0.407331D+01 -0.911642D+01 -0.358952D+02 -0.787643D+01 -0.169742D+00
      3  -0.547386D+01 -0.242995D+02 -0.163672D+02  0.144412D+02  0.804495D+01
      4   0.211992D+02  0.502617D+01 -0.377750D+01 -0.300321D+02 -0.832723D+01
      5   0.423459D+01 -0.555317D+02 -0.768618D+01 -0.605193D+01 -0.126108D+02
      6   0.441721D+01 -0.639091D+01 -0.722088D+01 -0.269546D+01 -0.918094D+01
                76            77            78            79            80 
      1  -0.104265D+02 -0.326291D+02  0.337320D+01 -0.128465D+02  0.253632D+01
      2  -0.698142D+01  0.139924D+02 -0.120949D+02 -0.123398D+01 -0.152732D+02
      3   0.174079D+02  0.186366D+02  0.872172D+01  0.140805D+02  0.127369D+02
      4  -0.351554D+02 -0.111950D+02 -0.208962D+02 -0.869161D+01 -0.302543D+02
      5  -0.638289D+01 -0.204907D+02 -0.790644D+01 -0.203752D+02 -0.147258D+02
      6  -0.521630D+01 -0.169976D+02 -0.412019D+01 -0.109553D+02 -0.870074D+01
                81            82            83            84            85 
      1  -0.861631D+01  0.655767D+02 -0.194210D+02 -0.549939D+01 -0.319435D+02
      2   0.839551D+01 -0.351570D+02  0.932419D+01  0.119857D+01  0.153309D+02
      3   0.220805D+00 -0.304197D+02  0.100968D+02  0.430082D+01  0.166126D+02
      4  -0.196104D+02 -0.221238D+02 -0.381979D+02 -0.644062D+01 -0.590910D+02
      5   0.402250D+02 -0.882073D+01 -0.693920D+01 -0.317660D+02 -0.105834D+02
      6   0.201137D+02 -0.167283D+01 -0.466869D+01 -0.197964D+01 -0.911643D+01
                86            87            88            89            90 
      1  -0.523613D+02 -0.657911D+01 -0.157708D+02 -0.636005D+01 -0.435766D+02
      2   0.257624D+02  0.235948D+01  0.370875D+01  0.224647D+01  0.242803D+02
      3   0.265989D+02  0.421962D+01  0.120621D+02  0.411357D+01  0.192963D+02
      4   0.232773D+02 -0.411716D+02 -0.100377D+02 -0.400888D+02 -0.518405D+01
      5  -0.440959D+02 -0.431434D+01 -0.520953D+02 -0.413954D+01  0.508395D+02
      6   0.327292D+00 -0.460756D+01 -0.348693D+01 -0.517488D+01  0.142539D+01
                91            92            93            94            95 
      1   0.121885D+02 -0.361879D+01 -0.122672D+01 -0.111834D+02 -0.177535D+02
      2  -0.938665D+01 -0.265889D+01 -0.124364D+01  0.515505D+01  0.687212D+01
      3  -0.280182D+01  0.627768D+01  0.247036D+01  0.602835D+01  0.108814D+02
      4  -0.194347D+02 -0.173348D+02 -0.835603D+01 -0.419390D+02  0.149950D+02
      5  -0.685956D+01 -0.752833D+01 -0.919774D+01 -0.140024D+02 -0.303928D+01
      6  -0.486169D+01 -0.255936D+01 -0.460314D+01 -0.292607D+01 -0.565931D+01
                96            97            98            99           100 
      1  -0.681511D+01 -0.165613D+02 -0.880101D+01 -0.219774D+01 -0.539992D+01
      2   0.416517D+00  0.395318D-01 -0.190858D+01  0.760481D+01  0.115274D+01
      3   0.639860D+01  0.165218D+02  0.107096D+02 -0.540707D+01  0.424718D+01
      4  -0.286854D+01 -0.198898D+02 -0.154634D+02 -0.166604D+02  0.131650D+02
      5  -0.141188D+02 -0.153590D+02 -0.156078D+02  0.296669D+02 -0.170056D+02
      6  -0.316396D+01 -0.824743D+01 -0.292145D+01  0.831030D+01  0.540366D+01
               101           102           103           104           105 
      1   0.572979D+01 -0.862121D+01  0.189885D+02  0.448717D+01  0.942242D+01
      2  -0.385124D+00  0.586219D+01 -0.143220D+02  0.219346D+01 -0.318433D+01
      3  -0.534466D+01  0.275901D+01 -0.466644D+01 -0.668063D+01 -0.623809D+01
      4  -0.911549D+00  0.750270D+01 -0.181842D+00 -0.174944D+02 -0.251510D+01
      5   0.673915D+01 -0.344584D+01  0.758186D+01 -0.233944D+01  0.247797D+02
      6  -0.525065D+01  0.626216D+01 -0.112311D+01 -0.184238D+01 -0.153070D+02
               106           107           108           109           110 
      1  -0.248270D+02  0.106540D+02 -0.589798D+01  0.437936D+02 -0.130318D+02
      2   0.940984D+01  0.277028D+01  0.340881D+01 -0.211627D+02  0.417061D+01
      3   0.154172D+02 -0.134243D+02  0.248917D+01 -0.226309D+02  0.886122D+01
      4   0.210326D+02 -0.177048D+02  0.226707D+02 -0.245577D+02  0.199052D+02
      5  -0.206097D+02  0.206050D+02 -0.237867D+02  0.320067D+02 -0.656721D+01
      6   0.118080D+02 -0.179441D+02  0.596054D+01 -0.113386D+02  0.408205D+01
               111           112           113           114           115 
      1   0.247580D+02 -0.156570D+02  0.361284D+01 -0.178927D+01  0.411606D+02
      2  -0.146423D+02  0.290764D+01  0.744150D+01 -0.105219D+01 -0.203420D+02
      3  -0.101157D+02  0.127493D+02 -0.110543D+02  0.284146D+01 -0.208186D+02
      4  -0.105247D+02  0.248165D+02 -0.225913D+02  0.180159D+02 -0.249909D+02
      5   0.228671D+02 -0.122109D+02  0.174125D+02 -0.200330D+02  0.363347D+02
      6  -0.762372D+01  0.599322D+01 -0.115115D+02  0.176050D+02 -0.114389D+02
               116           117           118           119           120 
      1  -0.416738D+01  0.112508D+02 -0.283267D+00 -0.925745D+01 -0.127059D+02
      2  -0.393529D+01 -0.151490D+02 -0.342075D+01  0.123555D+02  0.809455D+01
      3   0.810267D+01  0.389816D+01  0.370402D+01 -0.309807D+01  0.461140D+01
      4   0.325983D+02 -0.194756D+02  0.154283D+01 -0.796453D+01  0.318178D+01
      5  -0.178835D+02  0.597317D+02 -0.832621D+01 -0.140991D+01  0.577997D+01
      6   0.164962D+02 -0.273701D+02  0.351391D+01  0.514150D+01  0.103285D+01
               121           122           123           124           125 
      1  -0.405705D+01 -0.657725D+01 -0.560759D+01 -0.130400D+02 -0.790890D+01
      2   0.131657D+02 -0.156895D+02  0.221555D+01  0.705100D+01  0.773244D+01
      3  -0.910865D+01  0.222667D+02  0.339203D+01  0.598902D+01  0.176455D+00
      4  -0.112171D+02  0.436026D+02 -0.339781D+01  0.131212D+02 -0.183139D+02
      5   0.164270D+01 -0.267318D+01 -0.505037D+01  0.172700D+02 -0.179909D+02
      6   0.280099D+01  0.196796D+01  0.106563D+02 -0.643589D+01  0.201644D+02
               126           127           128           129           130 
      1  -0.913941D+01 -0.841254D+00 -0.107720D+00  0.359056D+01 -0.256266D+01
      2  -0.657205D+01 -0.522467D+01 -0.126271D+01  0.556904D+01 -0.512323D+00
      3   0.157115D+02  0.606593D+01  0.137043D+01 -0.915961D+01  0.307499D+01
      4  -0.159796D+02  0.106251D+01  0.245179D+01 -0.780028D+00  0.127430D+01
      5  -0.340624D+02 -0.909336D+01 -0.253713D+01  0.118886D+02 -0.277982D+01
      6   0.228326D+02  0.169635D+00 -0.161965D+01 -0.491317D+00 -0.119257D+01
               131           132           133           134           135 
      1  -0.334294D+01  0.787960D+01  0.374172D+01  0.505354D+01 -0.237828D+02
      2  -0.378121D+00  0.318765D+01  0.665691D+01  0.188176D+01 -0.143448D+02
      3   0.372106D+01 -0.110672D+02 -0.103986D+02 -0.693530D+01  0.381277D+02
      4   0.112270D+01 -0.129856D+01 -0.181314D+01 -0.311647D+01  0.201877D+01
      5  -0.258090D+01  0.420355D+01  0.118520D+02  0.403339D+01 -0.187296D+02
      6  -0.288837D+01  0.193529D+01  0.984501D+00  0.560717D+01 -0.294965D+01
               136           137           138           139           140 
      1   0.457901D+01 -0.817070D-01 -0.187973D+01  0.150764D+00 -0.168155D+01
      2  -0.592398D+01  0.100633D+01 -0.420809D+01  0.215343D+01 -0.314211D+00
      3   0.134497D+01 -0.924618D+00  0.608782D+01 -0.230420D+01  0.199576D+01
      4  -0.252656D+01  0.402042D+01 -0.112143D+01  0.280897D+01 -0.293918D+01
      5   0.111038D+02 -0.288014D+01  0.997561D+01 -0.461736D+01  0.323803D+01
      6  -0.155300D+00  0.169465D+01 -0.973867D+00  0.810738D+00 -0.273445D+01
               141           142           143           144           145 
      1   0.492183D+01 -0.333776D+01  0.396662D+01 -0.122514D+02 -0.266898D+01
      2   0.232335D+01 -0.542406D+01  0.100844D+01 -0.838531D+01 -0.293838D+01
      3  -0.724518D+01  0.876182D+01 -0.497506D+01  0.206368D+02  0.560736D+01
      4   0.137653D+01 -0.213928D+01  0.325049D+01 -0.257362D+01  0.526848D+01
      5  -0.580114D+01  0.124557D+02 -0.444131D+01  0.158419D+02 -0.938162D+01
      6   0.201006D+01 -0.193806D+01  0.486991D+01 -0.359396D+01 -0.573977D+01
               146           147           148           149           150 
      1  -0.176804D+01  0.560619D+01 -0.266419D+01 -0.462299D+01  0.896251D+01
      2   0.192262D+00  0.315452D+01 -0.516032D+00  0.894386D+00  0.818439D+00
      3   0.157578D+01 -0.876070D+01  0.318022D+01  0.372861D+01 -0.978095D+01
      4   0.379224D+01 -0.538215D+01  0.225476D+01  0.179091D+01 -0.276317D+01
      5  -0.350792D+01  0.121913D+02 -0.330088D+01 -0.259772D+01  0.423859D+01
      6  -0.350495D+01  0.628871D+01 -0.289143D+01 -0.516290D+01  0.850287D+01
               151           152           153           154           155 
      1   0.762694D+01  0.108586D+02 -0.294725D+02  0.253819D+01  0.253374D+01
      2   0.226645D+01 -0.283228D+01 -0.594206D+01 -0.324348D+01 -0.223097D+01
      3  -0.989339D+01 -0.802634D+01  0.354145D+02  0.705288D+00 -0.302773D+00
      4  -0.588683D+01 -0.522890D+01  0.803641D+01 -0.106783D+02  0.755507D+01
      5   0.112753D+02  0.541788D+01 -0.180959D+02  0.153687D+02 -0.604716D+01
      6   0.844373D+01  0.127793D+02 -0.233341D+02 -0.886507D+01  0.590631D+01
               156           157           158           159           160 
      1  -0.217574D+01  0.447692D+00 -0.359229D+01  0.549894D+01 -0.405330D+01
      2  -0.223307D+01  0.100319D+01  0.172672D+01  0.299920D+00 -0.248683D+01
      3   0.440881D+01 -0.145088D+01  0.186557D+01 -0.579886D+01  0.654013D+01
      4  -0.833264D+01  0.515361D+01 -0.535162D+01  0.581007D+01 -0.877930D+01
      5   0.139752D+02 -0.704894D+01  0.494765D+01 -0.825255D+01  0.151060D+02
      6  -0.884838D+01  0.542834D+01 -0.595320D+01  0.841575D+01 -0.103044D+02
               161           162           163           164           165 
      1   0.808404D+01 -0.155058D+02  0.784804D+01  0.393587D+00 -0.708180D+01
      2  -0.363472D+01 -0.268092D+01 -0.773658D+01 -0.600664D+00  0.633291D+01
      3  -0.444932D+01  0.181867D+02 -0.111452D+00  0.207077D+00  0.748889D+00
      4   0.737238D+01 -0.106026D+02 -0.171299D+01  0.697545D+01  0.395082D+01
      5  -0.768075D+01  0.199786D+02 -0.132165D+02  0.262242D+01  0.147471D+02
      6   0.116377D+02 -0.180917D+02  0.204534D+01 -0.136905D+01 -0.204438D+01
               166           167           168           169           170 
      1   0.822626D+01  0.174167D+01 -0.176095D+01 -0.147066D+02 -0.297767D+01
      2  -0.524073D+01 -0.471151D+00  0.137442D+01  0.134316D+02  0.481976D+00
      3  -0.298554D+01 -0.127052D+01  0.386537D+00  0.127499D+01  0.249570D+01
      4   0.727385D+01 -0.344757D+01 -0.401359D+01  0.588665D+01 -0.858396D+01
      5  -0.937441D+00 -0.433317D+01  0.198808D+01  0.221363D+02 -0.810435D+01
      6  -0.140614D+01  0.116980D+01  0.501365D+01 -0.507844D+01  0.650787D+01
               171           172           173           174           175 
      1  -0.545971D+01  0.206322D+02 -0.864046D+01  0.376440D+01 -0.149580D+02
      2  -0.136627D+02 -0.397680D+01 -0.503278D+00 -0.887690D+00 -0.241973D+01
      3   0.191225D+02 -0.166554D+02  0.914374D+01 -0.287671D+01  0.173777D+02
      4  -0.108930D+02 -0.209817D+02  0.237710D+02 -0.157823D+01  0.347606D+02
      5  -0.443467D+02  0.445315D+01 -0.382074D+00  0.489971D+01 -0.106065D+01
      6   0.118660D+02 -0.114826D+01 -0.265048D+00 -0.114287D+01  0.456016D+00
               176           177           178           179           180 
      1   0.127396D+00  0.394229D+00  0.192698D+02  0.110550D+01  0.133314D+01
      2   0.209385D+02 -0.258279D+01 -0.578669D+01 -0.461099D+01 -0.233301D+00
      3  -0.210659D+02  0.218856D+01 -0.134831D+02  0.350549D+01 -0.109984D+01
      4  -0.509076D+02  0.607117D+01 -0.930770D+01  0.158631D+02 -0.853445D+01
      5   0.544991D+01 -0.580589D+01  0.850342D+01 -0.737542D+01  0.225073D+01
      6  -0.115769D+01  0.464462D+01 -0.327290D+01  0.526275D+01 -0.213501D+01
               181           182           183           184           185 
      1  -0.955599D+00 -0.280696D+01  0.109472D+02 -0.859515D+01 -0.111572D+02
      2  -0.314824D+01  0.389898D+00 -0.293628D+01  0.368787D+01  0.530026D+01
      3   0.410384D+01  0.241706D+01 -0.801096D+01  0.490728D+01  0.585694D+01
      4  -0.441752D+01 -0.388161D+01  0.173156D+00 -0.295931D+01  0.102432D+01
      5   0.698392D+01 -0.208129D+00 -0.209769D+01  0.908464D+00  0.411628D+01
      6   0.127192D+01  0.119518D+00 -0.139205D+01 -0.469562D+00 -0.507865D-02
               186           187           188           189           190 
      1   0.851069D-01  0.203744D+02 -0.545321D+00 -0.227442D+02 -0.543026D+02
      2   0.803809D+00 -0.905977D+01  0.127719D+01 -0.885356D+01  0.313140D+02
      3  -0.888916D+00 -0.113146D+02 -0.731865D+00  0.315978D+02  0.229886D+02
      4   0.371618D+01  0.147051D+01  0.629530D+01 -0.198463D+01 -0.169404D+02
      5  -0.102529D+01  0.751131D-01 -0.632312D+00  0.502246D+02  0.343510D+01
      6   0.661431D+01 -0.196808D+00  0.352509D+01  0.630844D+01  0.255038D+01
               191           192           193           194           195 
      1   0.146195D+02  0.264901D+01  0.708144D+01 -0.981230D+01 -0.842199D+00
      2  -0.149447D+02 -0.123966D+01 -0.767442D+01  0.921840D+01  0.163210D+01
      3   0.325239D+00 -0.140935D+01  0.592986D+00  0.593901D+00 -0.789903D+00
      4  -0.443284D+01  0.238980D+01  0.199198D+01 -0.517506D+00  0.188069D+01
      5   0.107012D+01 -0.176063D+01 -0.731382D-01  0.234325D+01  0.928488D+00
      6   0.230118D+00 -0.358753D+01  0.530490D+00  0.116328D+01  0.210263D+01
               196           197           198           199           200 
      1   0.423304D+01 -0.263047D+01 -0.521927D+01  0.226914D+01  0.176433D+01
      2  -0.158150D+01  0.329862D+01  0.201840D+01 -0.177378D+01  0.140095D+01
      3  -0.265154D+01 -0.668149D+00  0.320087D+01 -0.495358D+00 -0.316528D+01
      4   0.124042D+01  0.369486D+01  0.203142D+01  0.563899D+01  0.925700D+01
      5   0.126355D+01  0.303476D+01 -0.313717D+01 -0.978054D+01 -0.336903D+01
      6  -0.203079D+01  0.351882D+01 -0.120171D+01 -0.361298D+01 -0.190815D+01
               201           202           203           204           205 
      1  -0.654095D+01 -0.567845D+00 -0.516868D+00  0.256887D+01 -0.112966D+02
      2   0.518218D+01  0.225623D+01  0.194234D+01 -0.255349D+01  0.782291D+01
      3   0.135878D+01 -0.168838D+01 -0.142547D+01 -0.153808D-01  0.347368D+01
      4  -0.521109D+01  0.609607D+01  0.635214D+01 -0.476551D+01 -0.909596D+01
      5   0.136829D+02 -0.461963D+00 -0.508711D+01  0.316867D+01  0.157333D+02
      6   0.521349D+01 -0.147430D+01 -0.295730D+01  0.766250D+01  0.720664D+01
               206           207           208           209           210 
      1   0.590506D+01 -0.683649D+01  0.139043D+02  0.924270D+01  0.553879D+01
      2  -0.577593D+01 -0.832163D+01  0.182955D+01  0.814193D+01  0.539383D-01
      3  -0.129127D+00  0.151581D+02 -0.157339D+02 -0.173846D+02 -0.559272D+01
      4  -0.142192D+02  0.166267D+02  0.268570D+02  0.340908D+02  0.881368D+01
      5   0.144411D+02 -0.493317D+02  0.815620D+01  0.625601D+01  0.932755D+01
      6   0.126952D+02 -0.282924D+02  0.521428D+01  0.495513D+01  0.638431D+01
               211           212           213           214           215 
      1   0.935490D+01 -0.215426D+01 -0.886585D+00  0.999134D+01 -0.166364D+01
      2   0.811109D+01  0.304551D+02  0.773224D+01 -0.448479D+00  0.123379D+02
      3  -0.174660D+02 -0.283009D+02 -0.684566D+01 -0.954286D+01 -0.106743D+02
      4   0.335729D+02  0.554062D+02  0.152457D+02  0.165230D+02  0.276353D+02
      5   0.658447D+01  0.136852D+02  0.106212D+02  0.113198D+02  0.139530D+02
      6   0.551257D+01  0.121121D+02  0.100884D+02  0.747639D+01  0.121879D+02
               216           217           218           219           220 
      1   0.134566D+01  0.236747D+02  0.138996D+01 -0.181981D+02  0.393134D+01
      2   0.226685D+01 -0.141505D+02 -0.560513D+00  0.103971D+02 -0.176770D+01
      3  -0.361251D+01 -0.952425D+01 -0.829446D+00  0.780095D+01 -0.216364D+01
      4   0.159038D+02  0.208770D+01  0.829420D+01  0.361913D+00  0.139018D+02
      5   0.904338D+01 -0.190126D+02  0.710693D+00  0.230490D+02 -0.142952D+00
      6   0.799763D+01 -0.328736D+00  0.266157D+00  0.332595D+00 -0.900405D+00
               221           222           223           224           225 
      1   0.947517D+01  0.497529D+00 -0.487589D+02  0.177904D+01  0.286366D+02
      2  -0.475933D+01 -0.500509D+00  0.289022D+02 -0.152429D+01 -0.235864D+02
      3  -0.471584D+01  0.297976D-02  0.198567D+02 -0.254746D+00 -0.505024D+01
      4  -0.160984D+01 -0.440263D+01  0.869951D-01 -0.114648D+02  0.880091D+00
      5  -0.419120D+01  0.156516D+01  0.429434D+02 -0.567832D-01 -0.704452D+02
      6  -0.589272D+00  0.411826D+01  0.155164D+01  0.426091D+01 -0.204221D+01
               226           227           228           229           230 
      1   0.240490D+02 -0.189920D+02  0.947982D+01 -0.435983D+02  0.294057D+02
      2  -0.113619D+02  0.893309D+01 -0.506729D+01  0.211125D+02 -0.909601D+01
      3  -0.126871D+02  0.100589D+02 -0.441253D+01  0.224858D+02 -0.203096D+02
      4  -0.196124D+02  0.233518D+02 -0.649946D+01  0.407737D+02 -0.640563D+02
      5   0.109558D+02 -0.716922D+01  0.113008D+02 -0.139303D+02  0.230832D+02
      6  -0.233068D+01  0.178446D+01 -0.890981D+00  0.416506D+01 -0.666547D+01
               231           232           233           234           235 
      1  -0.847344D+01  0.206111D+02 -0.752369D+01  0.128771D+02  0.580069D+02
      2   0.517050D+01 -0.113110D+02  0.449051D+01 -0.914096D+01 -0.280775D+02
      3   0.330294D+01 -0.930016D+01  0.303318D+01 -0.373611D+01 -0.299294D+02
      4   0.217396D+02 -0.113207D+02  0.240923D+02 -0.135547D+02  0.320214D+02
      5  -0.191936D+02  0.200839D+02 -0.146917D+02  0.123527D+02  0.237174D+02
      6   0.566981D+01 -0.218171D+01  0.592204D+01 -0.397646D+01  0.496686D+01
               236           237           238           239           240 
      1   0.267328D+02  0.190043D+02  0.571418D+02  0.290775D+02  0.134954D+02
      2  -0.119786D+02 -0.101785D+02 -0.257994D+02 -0.855923D+01 -0.686402D+01
      3  -0.147542D+02 -0.882584D+01 -0.313423D+02 -0.205183D+02 -0.663135D+01
      4   0.273766D+02  0.118746D+02  0.444992D+02  0.407809D+02  0.208285D+02
      5   0.122843D+02  0.201502D+02  0.215524D+02  0.213276D+02  0.207235D+02
      6   0.292598D+01  0.277913D+01  0.647440D+01  0.667807D+01  0.621936D+01
               241           242           243           244           245 
      1   0.372394D+02  0.119253D+02  0.204880D+02  0.755252D+00  0.315987D+01
      2  -0.198910D+02 -0.576016D+01 -0.134440D+02 -0.400524D+01 -0.138629D+01
      3  -0.173484D+02 -0.616516D+01 -0.704395D+01  0.324999D+01 -0.177358D+01
      4   0.189417D+02  0.233486D+02  0.154844D+02  0.581930D+01  0.565583D+01
      5   0.317190D+02  0.159550D+02  0.198953D+02 -0.117792D+02 -0.130499D+01
      6   0.550912D+01  0.629348D+01  0.558343D+01 -0.353002D+01 -0.379081D+00
               246           247           248           249           250 
      1  -0.683873D+01  0.379232D+01  0.351850D+00  0.206014D+01 -0.885834D+01
      2   0.524354D+01 -0.157459D+01 -0.431525D-01 -0.501194D+00  0.888446D+01
      3   0.159518D+01 -0.221773D+01 -0.308698D+00 -0.155895D+01 -0.261241D-01
      4  -0.231009D+01  0.947694D+01  0.472994D+01 -0.699426D+01 -0.443039D+01
      5   0.121297D+02 -0.196112D+01 -0.707931D+01  0.886646D+01  0.174671D+02
      6   0.211691D+01 -0.159559D+01 -0.377019D+01  0.693314D+01  0.328792D+01
               251           252           253           254           255 
      1   0.239453D+01 -0.540182D+01 -0.837559D+02 -0.132067D+02  0.842331D+01
      2   0.420610D+00 -0.129961D+02  0.419550D+02  0.165534D+02 -0.539062D+01
      3  -0.281514D+01  0.183979D+02  0.418009D+02 -0.334664D+01 -0.303269D+01
      4  -0.105494D+02  0.934024D+01 -0.195103D+02  0.253312D+02  0.892714D+01
      5   0.794318D+01 -0.410900D+02  0.108277D+02  0.545110D+01  0.107351D+02
      6   0.627632D+01 -0.116429D+02  0.864143D+01  0.417734D+01  0.434306D+01
               256           257           258           259           260 
      1   0.984794D+01  0.364786D+02  0.884653D-01  0.267076D+02  0.112518D+01
      2   0.326621D+01 -0.359533D+02  0.513781D+00 -0.950286D+01  0.457169D+01
      3  -0.131142D+02 -0.525313D+00 -0.602246D+00 -0.172047D+02 -0.569687D+01
      4   0.354423D+02 -0.128512D+02  0.123224D+02  0.208453D+02  0.200788D+02
      5   0.110416D+02  0.151480D+02  0.134015D+02  0.162509D+02  0.119987D+02
      6   0.746228D+01  0.515086D+01  0.730185D+01  0.830530D+01  0.773806D+01
               261           262           263           264           265 
      1   0.134549D+02  0.480754D+01 -0.734142D+01 -0.147501D+01 -0.457585D+01
      2   0.599141D+01  0.334711D+01 -0.321616D+01 -0.269299D+00 -0.823473D+01
      3  -0.194463D+02 -0.815465D+01  0.105576D+02  0.174431D+01  0.128106D+02
      4   0.155980D+02 -0.145488D+02  0.213848D+02  0.422001D+01  0.266781D+02
      5  -0.265962D+02 -0.491661D+01  0.561019D+01  0.385506D+01  0.661377D+01
      6  -0.839145D+01  0.342443D+01 -0.404802D+01 -0.160967D+01 -0.546924D+01
               266           267           268           269           270 
      1  -0.109369D+02 -0.315817D+01  0.721078D+00 -0.130287D+00 -0.150365D+01
      2   0.392789D+02  0.507208D+01  0.252347D+01 -0.743104D+01  0.176139D+01
      3  -0.283420D+02 -0.191391D+01 -0.324455D+01  0.756133D+01 -0.257739D+00
      4  -0.655137D+02 -0.123235D+02 -0.452561D+01  0.108397D+02 -0.353903D+01
      5  -0.145417D+02 -0.112126D+02  0.196953D+01 -0.328151D+01 -0.266498D+01
      6   0.170823D+02  0.845811D+01 -0.117669D+01  0.387696D+01  0.182654D+01
               271           272           273           274           275 
      1   0.128136D+03  0.141957D+02 -0.410553D+01 -0.195058D+01  0.664451D+01
      2  -0.594641D+02 -0.245756D+01  0.153375D+01  0.399977D+01  0.122385D+00
      3  -0.686715D+02 -0.117382D+02  0.257178D+01 -0.204919D+01 -0.676689D+01
      4   0.499706D+02  0.211968D+02  0.352646D-01  0.129915D+02  0.684953D+01
      5   0.417359D+01  0.143848D+01  0.133401D+02 -0.585058D+00 -0.170263D+01
      6  -0.808954D+00  0.138973D+01  0.426496D+01  0.128742D+00 -0.553874D-01
               276           277           278           279           280 
      1   0.183551D+00 -0.168244D+02 -0.176253D+01  0.920413D+01  0.121405D+00
      2  -0.332270D+00  0.712355D+01 -0.614632D+00 -0.653446D+01  0.319599D+01
      3   0.148719D+00  0.970082D+01  0.237716D+01 -0.266967D+01 -0.331739D+01
      4  -0.188106D+01 -0.812719D+01 -0.560611D+01  0.271860D+01  0.338390D+01
      5  -0.103714D+01  0.132890D+02  0.798899D+00 -0.525285D+00 -0.230035D+01
      6   0.218441D+00  0.374927D+01  0.909647D+00 -0.224995D+00 -0.953809D+00
               281           282           283           284           285 
      1   0.145763D+02 -0.124157D+01  0.118952D+02 -0.331567D+02 -0.109677D+00
      2  -0.158022D+02  0.987662D+00 -0.567206D+01  0.536459D+02 -0.101354D+01
      3   0.122588D+01  0.253912D+00 -0.622318D+01 -0.204891D+02  0.112322D+01
      4  -0.864452D+01 -0.193872D+01  0.881957D+01  0.510734D+02 -0.518409D+00
      5  -0.771787D-01 -0.277716D+01  0.148986D+01 -0.310184D+01  0.606346D+01
      6  -0.144777D+01 -0.250900D+01 -0.171529D+00  0.414078D+01  0.674079D+01
               286           287           288           289           290 
      1  -0.523505D+01  0.218549D+01 -0.561960D+01  0.588886D+01  0.117453D+01
      2   0.172468D+01 -0.570917D+01  0.430623D+01 -0.580189D+01 -0.190355D+01
      3   0.351037D+01  0.352368D+01  0.131337D+01 -0.869700D-01  0.729019D+00
      4  -0.426818D+01 -0.912209D+01  0.333705D+01 -0.136469D+00 -0.284162D+01
      5   0.159152D+00  0.456105D+01  0.422121D+00  0.353760D+01 -0.134227D+01
      6  -0.615146D+00  0.632527D+01 -0.549680D+00  0.207514D+00 -0.143447D+01
               291           292           293           294           295 
      1   0.567672D+01 -0.527071D+01 -0.585885D+01 -0.477599D+00  0.115175D+02
      2  -0.223302D+01  0.198842D+01  0.330871D+01  0.291881D+01 -0.686142D+01
      3  -0.344370D+01  0.328230D+01  0.255013D+01 -0.244121D+01 -0.465609D+01
      4   0.703730D-01 -0.343559D+01 -0.279627D+01  0.221024D+01  0.659124D+01
      5   0.482279D+00 -0.240477D+01  0.199249D+01 -0.541692D+01  0.101076D+02
      6  -0.111306D+01 -0.866654D+00 -0.302453D-02  0.138115D+01  0.215191D+01
               296           297 
      1  -0.120430D+01 -0.118358D+02
      2   0.355886D+01 -0.131760D+02
      3  -0.235456D+01  0.250118D+02
      4   0.101535D+02  0.617065D+00
      5   0.171172D+01  0.446256D+02
      6   0.481751D+01  0.178437D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:02:42 2021, MaxMem=  6442450944 cpu:           62700.4 elap:            7856.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32400 -19.26667 -10.43593 -10.32318 -10.31287
 Alpha  occ. eigenvalues --  -10.30670 -10.30245 -10.30074 -10.29975 -10.29963
 Alpha  occ. eigenvalues --  -10.29884 -10.29429 -10.29255 -10.28366 -10.27946
 Alpha  occ. eigenvalues --   -1.22128  -1.12970  -0.97527  -0.92811  -0.90203
 Alpha  occ. eigenvalues --   -0.85173  -0.84731  -0.78492  -0.78251  -0.76934
 Alpha  occ. eigenvalues --   -0.71277  -0.69872  -0.66751  -0.65477  -0.60716
 Alpha  occ. eigenvalues --   -0.59669  -0.58141  -0.56746  -0.54952  -0.53996
 Alpha  occ. eigenvalues --   -0.53348  -0.52841  -0.51788  -0.50798  -0.50423
 Alpha  occ. eigenvalues --   -0.49383  -0.47556  -0.46831  -0.46485  -0.45253
 Alpha  occ. eigenvalues --   -0.45051  -0.44513  -0.42835  -0.42145  -0.41476
 Alpha  occ. eigenvalues --   -0.41272  -0.40589  -0.40305  -0.36892  -0.33384
 Alpha  occ. eigenvalues --   -0.31615
 Alpha virt. eigenvalues --    0.03366   0.03694   0.04100   0.04442   0.04818
 Alpha virt. eigenvalues --    0.04982   0.05234   0.05341   0.05773   0.06305
 Alpha virt. eigenvalues --    0.06933   0.07113   0.07445   0.07860   0.07991
 Alpha virt. eigenvalues --    0.08412   0.09130   0.09416   0.09822   0.10193
 Alpha virt. eigenvalues --    0.11049   0.11358   0.12380   0.12705   0.12820
 Alpha virt. eigenvalues --    0.13010   0.13516   0.13811   0.14039   0.14480
 Alpha virt. eigenvalues --    0.14681   0.15000   0.15332   0.15600   0.15828
 Alpha virt. eigenvalues --    0.16047   0.16284   0.16596   0.17082   0.17721
 Alpha virt. eigenvalues --    0.17879   0.18082   0.18431   0.18744   0.18759
 Alpha virt. eigenvalues --    0.19266   0.19711   0.20278   0.20674   0.20893
 Alpha virt. eigenvalues --    0.21147   0.21486   0.21862   0.22485   0.22658
 Alpha virt. eigenvalues --    0.23166   0.23365   0.23682   0.23997   0.24601
 Alpha virt. eigenvalues --    0.25090   0.25383   0.25839   0.25953   0.26221
 Alpha virt. eigenvalues --    0.26799   0.27052   0.27822   0.28293   0.28936
 Alpha virt. eigenvalues --    0.29233   0.29356   0.29428   0.29582   0.29634
 Alpha virt. eigenvalues --    0.30282   0.30439   0.30978   0.31268   0.31607
 Alpha virt. eigenvalues --    0.31877   0.32067   0.32389   0.33085   0.33168
 Alpha virt. eigenvalues --    0.33732   0.34434   0.34508   0.35025   0.35431
 Alpha virt. eigenvalues --    0.35585   0.36003   0.36470   0.36763   0.37545
 Alpha virt. eigenvalues --    0.37853   0.38350   0.39177   0.39422   0.39896
 Alpha virt. eigenvalues --    0.40436   0.40769   0.41436   0.41765   0.41966
 Alpha virt. eigenvalues --    0.42311   0.42719   0.43107   0.43445   0.43514
 Alpha virt. eigenvalues --    0.43897   0.44292   0.44691   0.45065   0.45436
 Alpha virt. eigenvalues --    0.45616   0.46043   0.46216   0.47087   0.47305
 Alpha virt. eigenvalues --    0.47514   0.47770   0.48773   0.49271   0.49828
 Alpha virt. eigenvalues --    0.50416   0.51046   0.51386   0.51596   0.52089
 Alpha virt. eigenvalues --    0.52551   0.53126   0.53573   0.53806   0.54433
 Alpha virt. eigenvalues --    0.54966   0.55338   0.55804   0.56404   0.57037
 Alpha virt. eigenvalues --    0.57072   0.57642   0.58060   0.59037   0.59354
 Alpha virt. eigenvalues --    0.59504   0.60654   0.60892   0.60929   0.61046
 Alpha virt. eigenvalues --    0.61388   0.61966   0.62930   0.63374   0.63556
 Alpha virt. eigenvalues --    0.63818   0.63948   0.64288   0.65131   0.65458
 Alpha virt. eigenvalues --    0.65715   0.66140   0.66639   0.66857   0.67592
 Alpha virt. eigenvalues --    0.67839   0.68271   0.69031   0.69260   0.70025
 Alpha virt. eigenvalues --    0.70307   0.70668   0.70768   0.71265   0.71807
 Alpha virt. eigenvalues --    0.72252   0.72275   0.72730   0.73459   0.73631
 Alpha virt. eigenvalues --    0.74268   0.74732   0.75077   0.75810   0.76064
 Alpha virt. eigenvalues --    0.76672   0.76803   0.77365   0.78206   0.78377
 Alpha virt. eigenvalues --    0.78647   0.78998   0.79750   0.80119   0.80691
 Alpha virt. eigenvalues --    0.81397   0.81539   0.82452   0.82910   0.83383
 Alpha virt. eigenvalues --    0.84224   0.84498   0.84736   0.85489   0.86276
 Alpha virt. eigenvalues --    0.86384   0.86755   0.87516   0.87701   0.88083
 Alpha virt. eigenvalues --    0.89242   0.89646   0.90053   0.90610   0.90873
 Alpha virt. eigenvalues --    0.91809   0.92050   0.92858   0.93336   0.94438
 Alpha virt. eigenvalues --    0.94713   0.95135   0.95589   0.96445   0.97404
 Alpha virt. eigenvalues --    0.97791   0.98558   0.98936   1.00091   1.00862
 Alpha virt. eigenvalues --    1.02224   1.02640   1.03219   1.04208   1.04991
 Alpha virt. eigenvalues --    1.06672   1.06840   1.07640   1.07834   1.09419
 Alpha virt. eigenvalues --    1.10156   1.11092   1.11122   1.11878   1.13599
 Alpha virt. eigenvalues --    1.14646   1.15641   1.16224   1.17272   1.17528
 Alpha virt. eigenvalues --    1.18799   1.19566   1.20649   1.21864   1.22260
 Alpha virt. eigenvalues --    1.23245   1.24986   1.25295   1.26396   1.26949
 Alpha virt. eigenvalues --    1.27493   1.27933   1.29149   1.30387   1.30945
 Alpha virt. eigenvalues --    1.32541   1.34407   1.35130   1.36421   1.38680
 Alpha virt. eigenvalues --    1.40230   1.41521   1.42061   1.43444   1.44131
 Alpha virt. eigenvalues --    1.44933   1.45357   1.46648   1.47622   1.48024
 Alpha virt. eigenvalues --    1.48708   1.51193   1.52683   1.53024   1.54700
 Alpha virt. eigenvalues --    1.54998   1.55508   1.56638   1.57121   1.57857
 Alpha virt. eigenvalues --    1.58258   1.58613   1.60365   1.60872   1.61415
 Alpha virt. eigenvalues --    1.62363   1.63907   1.64380   1.65210   1.65680
 Alpha virt. eigenvalues --    1.66371   1.66804   1.68652   1.69284   1.70839
 Alpha virt. eigenvalues --    1.71798   1.72249   1.72307   1.73699   1.74918
 Alpha virt. eigenvalues --    1.76009   1.76555   1.77249   1.78215   1.78802
 Alpha virt. eigenvalues --    1.79763   1.80385   1.80720   1.81600   1.82359
 Alpha virt. eigenvalues --    1.82680   1.83810   1.84315   1.84733   1.85396
 Alpha virt. eigenvalues --    1.87142   1.88829   1.89382   1.90643   1.90731
 Alpha virt. eigenvalues --    1.91893   1.93147   1.93605   1.94426   1.95718
 Alpha virt. eigenvalues --    1.96431   1.97105   1.97991   1.99035   1.99208
 Alpha virt. eigenvalues --    1.99600   2.00518   2.01188   2.01689   2.02762
 Alpha virt. eigenvalues --    2.03841   2.04981   2.05190   2.06130   2.07381
 Alpha virt. eigenvalues --    2.07886   2.08598   2.09206   2.10479   2.11851
 Alpha virt. eigenvalues --    2.12305   2.13282   2.14212   2.15255   2.16373
 Alpha virt. eigenvalues --    2.17769   2.18842   2.19253   2.19638   2.21361
 Alpha virt. eigenvalues --    2.21819   2.22273   2.23858   2.23949   2.24861
 Alpha virt. eigenvalues --    2.25535   2.26898   2.27351   2.28957   2.30292
 Alpha virt. eigenvalues --    2.30976   2.32538   2.33267   2.34245   2.34925
 Alpha virt. eigenvalues --    2.35824   2.37738   2.38518   2.39857   2.40031
 Alpha virt. eigenvalues --    2.40970   2.42321   2.43567   2.44706   2.46008
 Alpha virt. eigenvalues --    2.47431   2.48238   2.49784   2.51607   2.54289
 Alpha virt. eigenvalues --    2.55387   2.56790   2.56996   2.57476   2.59296
 Alpha virt. eigenvalues --    2.61744   2.62388   2.64359   2.65535   2.66609
 Alpha virt. eigenvalues --    2.68623   2.69576   2.69643   2.70407   2.73627
 Alpha virt. eigenvalues --    2.76673   2.78838   2.78995   2.80716   2.81651
 Alpha virt. eigenvalues --    2.83791   2.85683   2.88112   2.90419   2.91051
 Alpha virt. eigenvalues --    2.93074   2.95493   2.96760   2.98315   2.99550
 Alpha virt. eigenvalues --    3.03814   3.11764   3.15723   3.17245   3.19033
 Alpha virt. eigenvalues --    3.21465   3.28543   3.36374   3.40737   3.44219
 Alpha virt. eigenvalues --    3.45947   3.50972   3.51361   3.53616   3.55233
 Alpha virt. eigenvalues --    3.58800   3.62325   3.67201   3.72925   3.78391
 Alpha virt. eigenvalues --    3.81776   3.92982   3.99286   4.10676   4.85993
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   37.908151 -11.335132 -11.902781   3.739737  -4.721280  -4.938622
     2  C  -11.335132  25.468304   4.051824  -6.835421  -2.579499  -3.256838
     3  C  -11.902781   4.051824  37.980642 -10.171074  -5.191236  -4.512212
     4  C    3.739737  -6.835421 -10.171074  27.784107  -3.998190  -2.533963
     5  C   -4.721280  -2.579499  -5.191236  -3.998190  27.807188  -4.496148
     6  C   -4.938622  -3.256838  -4.512212  -2.533963  -4.496148  27.139965
     7  C   -1.292168  -1.932831  -0.375233  -0.539593  -0.729965   0.399040
     8  C   -0.461942   0.322337   0.039196  -0.128372  -0.086740  -0.195439
     9  C    0.652728  -0.295051  -0.120571   0.039860  -0.210885  -0.219070
    10  C   -0.238976   0.007787  -0.005135  -0.000174   0.129208   0.069336
    11  C    0.166147  -0.174766  -0.375924  -4.982218   0.654130  -0.399049
    12  C    0.131577   0.046754  -0.876655   0.771389  -0.225024  -0.208536
    13  O   -0.060202   0.000005   0.165785  -0.091743   0.006007   0.005283
    14  O   -0.040459   0.008169   0.093959  -0.010221   0.004144   0.029277
    15  H   -4.859457   3.060714   1.370652  -1.360191   0.119180   0.568328
    16  H    1.695595  -1.094362  -4.771795   2.145272   0.469484   0.044043
    17  H   -0.233803   0.166408   0.057186   0.449284  -2.732763   1.309881
    18  H   -0.097149   0.162287  -0.169676   0.278570   1.552653  -2.336194
    19  H    1.168051  -0.468236   0.247826   0.198213  -0.296957  -0.649870
    20  H   -0.248425  -0.301761  -0.061017   0.025080   0.273587   0.398919
    21  H    0.031525  -0.079732   0.071305   0.056637   0.059989   0.082338
    22  H   -0.035315   0.002286  -0.054748   0.013887   0.037901   0.019314
    23  H    0.198235  -0.046533   0.031695   0.037713  -0.018601  -0.036330
    24  H   -0.093754   0.053001   0.003665  -0.015173   0.020615   0.018743
    25  H   -0.048575   0.056956   0.018621  -0.003361   0.015850   0.043915
    26  H    0.006794   0.201932  -0.010174   0.015144   0.010361  -0.001391
    27  H    0.013895  -0.121411  -0.004099  -0.005975  -0.007923  -0.030772
    28  H   -0.043790   0.003224  -0.025815   0.744998  -0.055509  -0.084386
    29  C    0.015959  -0.156017  -0.455793  -0.540166   0.226100  -0.064661
    30  H    0.005604  -0.000266  -0.025066   0.031946  -0.008438  -0.004185
    31  H   -0.008990   0.047690   0.116883   0.879772  -0.235287  -0.027978
    32  H   -0.013343  -0.031661   0.096729  -0.720422   0.192006   0.026054
    33  H   -0.015023  -0.083658  -0.336991   0.027222   0.119354   0.035921
               7          8          9         10         11         12
     1  C   -1.292168  -0.461942   0.652728  -0.238976   0.166147   0.131577
     2  C   -1.932831   0.322337  -0.295051   0.007787  -0.174766   0.046754
     3  C   -0.375233   0.039196  -0.120571  -0.005135  -0.375924  -0.876655
     4  C   -0.539593  -0.128372   0.039860  -0.000174  -4.982218   0.771389
     5  C   -0.729965  -0.086740  -0.210885   0.129208   0.654130  -0.225024
     6  C    0.399040  -0.195439  -0.219070   0.069336  -0.399049  -0.208536
     7  C   11.883995  -0.588688   0.227833   0.098885  -0.351326  -0.004883
     8  C   -0.588688   8.892610  -0.278937  -0.085479   0.003201   0.004798
     9  C    0.227833  -0.278937   4.794943  -0.265401  -0.004670  -0.004207
    10  C    0.098885  -0.085479  -0.265401   4.978421  -0.002835   0.000561
    11  C   -0.351326   0.003201  -0.004670  -0.002835  14.259993  -2.174150
    12  C   -0.004883   0.004798  -0.004207   0.000561  -2.174150   7.576746
    13  O   -0.001864   0.000173   0.000002   0.000005   0.080229   0.048241
    14  O    0.001146   0.000201   0.000792   0.000046   0.099983  -0.277823
    15  H   -0.102842   0.073577  -0.064989   0.015075  -0.024732   0.009848
    16  H    0.119683  -0.006967   0.007175   0.000928  -0.079579   0.178326
    17  H    0.143026  -0.015406   0.003426  -0.001569  -0.033232  -0.036070
    18  H   -0.495570   0.013238  -0.035082   0.040776   0.119213   0.003482
    19  H   -0.858686   0.028739   0.011221  -0.096757   0.000192  -0.002435
    20  H   -0.554198   0.139078   0.032699  -0.065412  -0.012208   0.001345
    21  H   -0.097458  -1.427462   0.149762  -0.108586   0.002208   0.001374
    22  H   -0.079720   0.322104   0.168394  -0.110895  -0.014348   0.001755
    23  H   -0.304654  -0.000858   0.199218  -0.072045  -0.000408   0.000160
    24  H    0.085091  -0.061630   0.113078   0.081393   0.003152  -0.000233
    25  H   -0.019284  -0.232443  -0.088582   0.407457   0.000134   0.000080
    26  H   -0.229248   0.224013  -0.054248   0.134139   0.001627   0.000030
    27  H    0.087974   0.238271   0.064439   0.059097  -0.001216   0.000033
    28  H   -0.006832   0.002990  -0.000913  -0.000052  -1.510066   0.156196
    29  C   -0.070467  -0.003621  -0.000983   0.000052   0.579067   0.050694
    30  H    0.000098   0.000001  -0.000139  -0.000005   0.020373  -0.055043
    31  H    0.002081  -0.000355  -0.000018  -0.000022  -0.512494   0.022497
    32  H   -0.014358   0.000375  -0.000043   0.000052   0.669869  -0.131186
    33  H   -0.010817  -0.000322  -0.000021  -0.000061  -0.262968   0.064180
              13         14         15         16         17         18
     1  C   -0.060202  -0.040459  -4.859457   1.695595  -0.233803  -0.097149
     2  C    0.000005   0.008169   3.060714  -1.094362   0.166408   0.162287
     3  C    0.165785   0.093959   1.370652  -4.771795   0.057186  -0.169676
     4  C   -0.091743  -0.010221  -1.360191   2.145272   0.449284   0.278570
     5  C    0.006007   0.004144   0.119180   0.469484  -2.732763   1.552653
     6  C    0.005283   0.029277   0.568328   0.044043   1.309881  -2.336194
     7  C   -0.001864   0.001146  -0.102842   0.119683   0.143026  -0.495570
     8  C    0.000173   0.000201   0.073577  -0.006967  -0.015406   0.013238
     9  C    0.000002   0.000792  -0.064989   0.007175   0.003426  -0.035082
    10  C    0.000005   0.000046   0.015075   0.000928  -0.001569   0.040776
    11  C    0.080229   0.099983  -0.024732  -0.079579  -0.033232   0.119213
    12  C    0.048241  -0.277823   0.009848   0.178326  -0.036070   0.003482
    13  O    8.440637  -0.002254  -0.000822  -0.045251   0.003364  -0.000180
    14  O   -0.002254   8.372513  -0.000928  -0.015748   0.016083  -0.000220
    15  H   -0.000822  -0.000928   3.732987  -0.362454   0.006621  -0.027127
    16  H   -0.045251  -0.015748  -0.362454   3.890205  -0.031407   0.003942
    17  H    0.003364   0.016083   0.006621  -0.031407   3.349790  -0.343489
    18  H   -0.000180  -0.000220  -0.027127   0.003942  -0.343489   3.330873
    19  H   -0.000050   0.000030  -0.123769   0.001909  -0.005255   0.020779
    20  H   -0.000032   0.000015   0.026960  -0.002562   0.014572  -0.063835
    21  H    0.000004  -0.000214   0.003820   0.000077   0.003722  -0.058409
    22  H   -0.000235  -0.001515  -0.014437   0.002485  -0.001986   0.009435
    23  H    0.000007   0.000040  -0.008848  -0.001364   0.000787  -0.007292
    24  H   -0.000018   0.000201   0.002995   0.000317  -0.000407   0.000854
    25  H    0.000004   0.000007   0.009579  -0.000118  -0.000097   0.002459
    26  H   -0.000001   0.000011   0.000164  -0.000011  -0.000501   0.014454
    27  H    0.000000  -0.000011  -0.002690   0.000045   0.000148  -0.004069
    28  H   -0.000247  -0.046512   0.001175  -0.015484  -0.175256   0.005063
    29  C   -0.005437  -0.000540   0.009718  -0.030956   0.016135   0.008478
    30  H   -0.038299   0.301332   0.000025   0.001988  -0.000880   0.000029
    31  H   -0.000148   0.001328  -0.000808   0.008053  -0.000031   0.000490
    32  H    0.018484   0.007644  -0.002619   0.014748  -0.007451   0.001889
    33  H    0.007097  -0.009442   0.003843  -0.083337   0.008935  -0.000717
              19         20         21         22         23         24
     1  C    1.168051  -0.248425   0.031525  -0.035315   0.198235  -0.093754
     2  C   -0.468236  -0.301761  -0.079732   0.002286  -0.046533   0.053001
     3  C    0.247826  -0.061017   0.071305  -0.054748   0.031695   0.003665
     4  C    0.198213   0.025080   0.056637   0.013887   0.037713  -0.015173
     5  C   -0.296957   0.273587   0.059989   0.037901  -0.018601   0.020615
     6  C   -0.649870   0.398919   0.082338   0.019314  -0.036330   0.018743
     7  C   -0.858686  -0.554198  -0.097458  -0.079720  -0.304654   0.085091
     8  C    0.028739   0.139078  -1.427462   0.322104  -0.000858  -0.061630
     9  C    0.011221   0.032699   0.149762   0.168394   0.199218   0.113078
    10  C   -0.096757  -0.065412  -0.108586  -0.110895  -0.072045   0.081393
    11  C    0.000192  -0.012208   0.002208  -0.014348  -0.000408   0.003152
    12  C   -0.002435   0.001345   0.001374   0.001755   0.000160  -0.000233
    13  O   -0.000050  -0.000032   0.000004  -0.000235   0.000007  -0.000018
    14  O    0.000030   0.000015  -0.000214  -0.001515   0.000040   0.000201
    15  H   -0.123769   0.026960   0.003820  -0.014437  -0.008848   0.002995
    16  H    0.001909  -0.002562   0.000077   0.002485  -0.001364   0.000317
    17  H   -0.005255   0.014572   0.003722  -0.001986   0.000787  -0.000407
    18  H    0.020779  -0.063835  -0.058409   0.009435  -0.007292   0.000854
    19  H    2.710135  -0.423739   0.096751  -0.014030   0.023347   0.009260
    20  H   -0.423739   2.389393   0.001433   0.030250   0.010542  -0.011457
    21  H    0.096751   0.001433   2.893872  -0.069046   0.127779  -0.055610
    22  H   -0.014030   0.030250  -0.069046   1.830469  -0.270828  -0.531383
    23  H    0.023347   0.010542   0.127779  -0.270828   1.682812  -0.392240
    24  H    0.009260  -0.011457  -0.055610  -0.531383  -0.392240   2.040774
    25  H   -0.047378  -0.015471   0.116892   0.002065   0.008022  -0.015545
    26  H    0.009437  -0.066011  -0.083741  -0.021205  -0.001517   0.029001
    27  H    0.014448   0.028381  -0.096662   0.021448  -0.021026  -0.028099
    28  H    0.000227  -0.001157  -0.000456   0.000217  -0.000252   0.000209
    29  C   -0.002970  -0.002173   0.000950   0.000682   0.000420  -0.000169
    30  H   -0.000006   0.000019   0.000053   0.000046   0.000024  -0.000049
    31  H    0.000150   0.000245   0.000049   0.000300   0.000027  -0.000006
    32  H   -0.000241  -0.000691   0.000217  -0.000647   0.000069   0.000008
    33  H   -0.000887  -0.000171   0.000067   0.000219   0.000078  -0.000028
              25         26         27         28         29         30
     1  C   -0.048575   0.006794   0.013895  -0.043790   0.015959   0.005604
     2  C    0.056956   0.201932  -0.121411   0.003224  -0.156017  -0.000266
     3  C    0.018621  -0.010174  -0.004099  -0.025815  -0.455793  -0.025066
     4  C   -0.003361   0.015144  -0.005975   0.744998  -0.540166   0.031946
     5  C    0.015850   0.010361  -0.007923  -0.055509   0.226100  -0.008438
     6  C    0.043915  -0.001391  -0.030772  -0.084386  -0.064661  -0.004185
     7  C   -0.019284  -0.229248   0.087974  -0.006832  -0.070467   0.000098
     8  C   -0.232443   0.224013   0.238271   0.002990  -0.003621   0.000001
     9  C   -0.088582  -0.054248   0.064439  -0.000913  -0.000983  -0.000139
    10  C    0.407457   0.134139   0.059097  -0.000052   0.000052  -0.000005
    11  C    0.000134   0.001627  -0.001216  -1.510066   0.579067   0.020373
    12  C    0.000080   0.000030   0.000033   0.156196   0.050694  -0.055043
    13  O    0.000004  -0.000001   0.000000  -0.000247  -0.005437  -0.038299
    14  O    0.000007   0.000011  -0.000011  -0.046512  -0.000540   0.301332
    15  H    0.009579   0.000164  -0.002690   0.001175   0.009718   0.000025
    16  H   -0.000118  -0.000011   0.000045  -0.015484  -0.030956   0.001988
    17  H   -0.000097  -0.000501   0.000148  -0.175256   0.016135  -0.000880
    18  H    0.002459   0.014454  -0.004069   0.005063   0.008478   0.000029
    19  H   -0.047378   0.009437   0.014448   0.000227  -0.002970  -0.000006
    20  H   -0.015471  -0.066011   0.028381  -0.001157  -0.002173   0.000019
    21  H    0.116892  -0.083741  -0.096662  -0.000456   0.000950   0.000053
    22  H    0.002065  -0.021205   0.021448   0.000217   0.000682   0.000046
    23  H    0.008022  -0.001517  -0.021026  -0.000252   0.000420   0.000024
    24  H   -0.015545   0.029001  -0.028099   0.000209  -0.000169  -0.000049
    25  H    1.566153  -0.260119  -0.379177   0.000031   0.000111  -0.000004
    26  H   -0.260119   1.702134  -0.430491   0.000040   0.000137   0.000002
    27  H   -0.379177  -0.430491   1.791737  -0.000049  -0.000089   0.000000
    28  H    0.000031   0.000040  -0.000049   2.481447   0.073424   0.005915
    29  C    0.000111   0.000137  -0.000089   0.073424   4.844855   0.011227
    30  H   -0.000004   0.000002   0.000000   0.005915   0.011227   0.578687
    31  H    0.000004   0.000000  -0.000005   0.008323  -0.212439   0.000613
    32  H    0.000013   0.000050  -0.000016  -0.022483   0.084842  -0.000853
    33  H    0.000007   0.000012  -0.000008   0.075924   0.612803   0.003112
              31         32         33
     1  C   -0.008990  -0.013343  -0.015023
     2  C    0.047690  -0.031661  -0.083658
     3  C    0.116883   0.096729  -0.336991
     4  C    0.879772  -0.720422   0.027222
     5  C   -0.235287   0.192006   0.119354
     6  C   -0.027978   0.026054   0.035921
     7  C    0.002081  -0.014358  -0.010817
     8  C   -0.000355   0.000375  -0.000322
     9  C   -0.000018  -0.000043  -0.000021
    10  C   -0.000022   0.000052  -0.000061
    11  C   -0.512494   0.669869  -0.262968
    12  C    0.022497  -0.131186   0.064180
    13  O   -0.000148   0.018484   0.007097
    14  O    0.001328   0.007644  -0.009442
    15  H   -0.000808  -0.002619   0.003843
    16  H    0.008053   0.014748  -0.083337
    17  H   -0.000031  -0.007451   0.008935
    18  H    0.000490   0.001889  -0.000717
    19  H    0.000150  -0.000241  -0.000887
    20  H    0.000245  -0.000691  -0.000171
    21  H    0.000049   0.000217   0.000067
    22  H    0.000300  -0.000647   0.000219
    23  H    0.000027   0.000069   0.000078
    24  H   -0.000006   0.000008  -0.000028
    25  H    0.000004   0.000013   0.000007
    26  H    0.000000   0.000050   0.000012
    27  H   -0.000005  -0.000016  -0.000008
    28  H    0.008323  -0.022483   0.075924
    29  C   -0.212439   0.084842   0.612803
    30  H    0.000613  -0.000853   0.003112
    31  H    1.820192  -0.352211  -0.316119
    32  H   -0.352211   1.677613  -0.305653
    33  H   -0.316119  -0.305653   1.624023
 Mulliken charges:
               1
     1  C    0.955183
     2  C    1.133501
     3  C    1.100030
     4  C    0.697424
     5  C   -0.103313
     6  C   -0.194716
     7  C    1.611834
     8  C   -0.730243
     9  C    1.178237
    10  C    1.030186
    11  C    0.256671
    12  C    0.926180
    13  O   -0.528545
    14  O   -0.531034
    15  H   -1.058549
    16  H   -1.042882
    17  H   -0.929764
    18  H   -0.929956
    19  H   -0.549450
    20  H   -0.542200
    21  H   -0.623450
    22  H   -0.242922
    23  H   -0.138181
    24  H   -0.256558
    25  H   -0.138204
    26  H   -0.190825
    27  H   -0.186128
    28  H   -0.570146
    29  C    1.010826
    30  H    0.172136
    31  H   -0.241785
    32  H   -0.186787
    33  H   -0.156574
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.103366
     2  C    1.133501
     3  C    0.057149
     4  C    0.697424
     5  C   -1.033077
     6  C   -1.124672
     7  C    0.520184
     8  C   -1.353693
     9  C    0.540577
    10  C    0.515028
    11  C   -0.313474
    12  C    0.926180
    13  O   -0.528545
    14  O   -0.358898
    29  C    0.425681
 Electronic spatial extent (au):  <R**2>=           4604.6967
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1230    Y=             -0.4619    Z=              1.3827  Tot=              1.8402
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.9998   YY=            -89.5604   ZZ=            -91.1542
   XY=              1.4742   XZ=             -5.8565   YZ=              0.6758
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4283   YY=              1.0111   ZZ=             -0.5827
   XY=              1.4742   XZ=             -5.8565   YZ=              0.6758
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -12.6638  YYY=             33.2882  ZZZ=             -0.4425  XYY=            -22.6952
  XXY=             -5.0268  XXZ=             28.8682  XZZ=              3.2281  YZZ=             -2.0314
  YYZ=             14.1413  XYZ=            -11.6816
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5050.8987 YYYY=           -699.7082 ZZZZ=           -472.0462 XXXY=             -3.8455
 XXXZ=           -102.4998 YYYX=           -103.0534 YYYZ=             31.4708 ZZZX=             -8.2077
 ZZZY=            -10.3969 XXYY=           -896.5123 XXZZ=           -932.0849 YYZZ=           -208.0415
 XXYZ=             50.8679 YYXZ=            -27.1253 ZZXY=              1.9470
 N-N= 9.730650404749D+02 E-N=-3.473278212327D+03  KE= 6.526020436455D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:02:42 2021, MaxMem=  6442450944 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0189   -1.0200       -0.8198   -0.8211
 2      1.0189    1.0200        3.7571    3.7551      -40.7885  -40.7845
 3      0.8198    0.8211       35.3213   35.3160       -3.7532   -3.7551
 4     -3.7571   -3.7551        0.0000    0.0000        0.8207    0.8211
 5      5.4672    5.4685       -0.8207   -0.8211       -1.0226   -1.0200
 6      3.7532    3.7551        1.0226    1.0200        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.0601    3.0601       -2.4634   -2.4634
 2    -11.2653  -11.2653        0.0000    0.0000       -2.4634   -2.4634
 3    -11.2653  -11.2653        3.0601    3.0601       -0.0000    0.0000
 4      3.0601    3.0601       11.2653   11.2653     -122.3536 -122.3536
 5      2.4634    2.4634      105.9481  105.9481      -11.2653  -11.2653
 6     16.4055   16.4055       -2.4634   -2.4634       -3.0601   -3.0601
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2819    0.0000        4.1476    4.0802        3.3697    3.2845
 2     -4.0852   -4.0802      -15.3287  -15.0204      163.2253  163.1381
 3     -3.0670   -3.2845     -141.2830 -141.2641       14.8977   15.0204
 4     15.2451   15.0204       -0.0799    0.0000       -3.2852   -3.2845
 5    -21.8060  -21.8740        3.1731    3.2845        4.3163    4.0802
 6    -15.0629  -15.0204       -4.2086   -4.0802       -0.1012    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2297    0.0000      -77.0584  -77.2623        7.9289    7.9887
 2     77.2279   77.2623       -6.0283   -6.4312       -2.9719   -2.7113
 3     -8.8406   -7.9887       39.0194   39.8912        6.5013    6.4312
 4      6.8770    6.4312        0.3378    0.0000       -7.9748   -7.9887
 5    -35.8226  -37.1799        8.7402    7.9887      -76.3417  -77.2623
 6     -6.9985   -6.4312       76.6941   77.2623       -0.0918    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.8673  -17.7351        5.5362    5.7150      -48.4237  -47.9362
 2      2.5991    1.4670      -52.8077  -53.8818      -48.0001  -47.9362
 3      2.3711    1.4670        6.5266    5.7150      -64.5993  -64.3714
 4     59.5251   59.5968      -19.0341  -19.2021       18.0954   18.1117
 5    -17.0874  -16.4352       51.8252   52.5642       18.4084   19.2021
 6    -68.6778  -70.6759       17.8222   16.4352      -57.8926  -59.5968
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3106                 0.9321                 1.5298
  Dep-P Fr= 1--      0.7499                 0.6845                 0.7363
  Dep-U Fr= 1--      0.8571                 0.8127                 0.8481
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0004
 Beta2  Fr= 1--      0.0444                 0.1263                 0.2162
 AlphaG Fr= 1--      0.0000                 0.0044                -0.0033
 Gamma2 Fr= 1--      0.2159                 0.1356                -0.8152
 Delta2 Fr= 1--      0.1316                 0.4744                -0.9828
 Raman1 Fr= 1--       1.243                  3.728                  6.119
 ROA1   Fr= 1--      24.937                 28.201               -109.710
 CID1   Fr= 1--      20.069                  7.564                -17.929
 Raman2 Fr= 1--       0.532                  1.515                  2.595
 ROA2   Fr= 1--       4.128                 -0.540                -11.703
 CID2   Fr= 1--       7.753                 -0.356                 -4.510
 Raman3 Fr= 1--       1.065                  3.030                  5.190
 ROA3   Fr= 1--      24.937                 28.201               -109.710
 CID3   Fr= 1--      23.416                  9.307                -21.139
 RC180  Fr= 1--       0.714                  0.625                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.3865                 0.1467                 2.4230
  Dep-P Fr= 1--      0.7482                 0.7481                 0.7343
  Dep-U Fr= 1--      0.8560                 0.8559                 0.8468
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0007
 Beta2  Fr= 1--      0.6258                 0.0209                 0.3420
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0008
 Gamma2 Fr= 1--      0.3073                 0.5627                -0.4873
 Delta2 Fr= 1--      0.1029                 0.2696                -0.0817
 Raman1 Fr= 1--      17.546                  0.587                  9.692
 ROA1   Fr= 1--      32.796                 62.648                -49.390
 CID1   Fr= 1--       1.869                106.760                 -5.096
 Raman2 Fr= 1--       7.510                  0.251                  4.104
 ROA2   Fr= 1--       6.552                 11.348                -11.041
 CID2   Fr= 1--       0.872                 45.187                 -2.691
 Raman3 Fr= 1--      15.019                  0.502                  8.207
 ROA3   Fr= 1--      32.796                 62.648                -49.390
 CID3   Fr= 1--       2.184                124.731                 -6.018
 RC180  Fr= 1--       0.712                  0.712                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.4203                 0.3526                 0.0942
  Dep-P Fr= 1--      0.1967                 0.4415                 0.7480
  Dep-U Fr= 1--      0.3288                 0.6125                 0.8558
 Alpha2 Fr= 1--      0.0195                 0.0022                 0.0000
 Beta2  Fr= 1--      0.0778                 0.0360                 0.0134
 AlphaG Fr= 1--      0.0052                -0.0037                -0.0001
 Gamma2 Fr= 1--      0.0681                 0.4026                 0.1169
 Delta2 Fr= 1--     -0.0408                 0.2592                 0.0499
 Raman1 Fr= 1--       5.681                  1.411                  0.377
 ROA1   Fr= 1--       5.235                 46.944                 12.823
 CID1   Fr= 1--       0.921                 33.281                 34.034
 Raman2 Fr= 1--       0.934                  0.432                  0.161
 ROA2   Fr= 1--       1.961                  7.590                  2.407
 CID2   Fr= 1--       2.100                 17.569                 14.933
 Raman3 Fr= 1--       1.868                  0.864                  0.322
 ROA3   Fr= 1--       5.235                 46.944                 12.823
 CID3   Fr= 1--       2.803                 54.334                 39.768
 RC180  Fr= 1--      -0.342                  0.225                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0664                 1.4550                 0.4789
  Dep-P Fr= 1--      0.7123                 0.4444                 0.7044
  Dep-U Fr= 1--      0.8320                 0.6153                 0.8266
 Alpha2 Fr= 1--      0.0000                 0.0091                 0.0004
 Beta2  Fr= 1--      0.0092                 0.1492                 0.0660
 AlphaG Fr= 1--      0.0003                -0.0282                -0.0019
 Gamma2 Fr= 1--     -0.0540                -0.8737                 0.5021
 Delta2 Fr= 1--      0.0127                 0.0646                 0.1489
 Raman1 Fr= 1--       0.266                  5.820                  1.916
 ROA1   Fr= 1--      -4.777                -81.807                 52.971
 CID1   Fr= 1--     -17.981                -14.056                 27.652
 Raman2 Fr= 1--       0.111                  1.791                  0.792
 ROA2   Fr= 1--      -1.398                -21.485                 10.860
 CID2   Fr= 1--     -12.647                -11.999                 13.717
 Raman3 Fr= 1--       0.221                  3.581                  1.583
 ROA3   Fr= 1--      -4.777                -81.807                 52.971
 CID3   Fr= 1--     -21.611                -22.843                 33.453
 RC180  Fr= 1--       0.664                  0.231                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.5312                 0.3544                 2.0608
  Dep-P Fr= 1--      0.0680                 0.6123                 0.6910
  Dep-U Fr= 1--      0.1273                 0.7595                 0.8173
 Alpha2 Fr= 1--      0.0290                 0.0009                 0.0021
 Beta2  Fr= 1--      0.0325                 0.0449                 0.2807
 AlphaG Fr= 1--      0.0207                 0.0004                 0.0008
 Gamma2 Fr= 1--     -0.1234                 0.7729                 0.4376
 Delta2 Fr= 1--     -0.2458                 0.3976                -0.4019
 Raman1 Fr= 1--       6.125                  1.418                  8.243
 ROA1   Fr= 1--     -19.717                 86.927                 29.147
 CID1   Fr= 1--      -3.219                 61.315                  3.536
 Raman2 Fr= 1--       0.390                  0.538                  3.369
 ROA2   Fr= 1--      -0.996                 15.370                 13.717
 CID2   Fr= 1--      -2.555                 28.548                  4.072
 Raman3 Fr= 1--       0.779                  1.077                  6.737
 ROA3   Fr= 1--     -19.717                 86.927                 29.147
 CID3   Fr= 1--     -25.297                 80.728                  4.326
 RC180  Fr= 1--      -0.745                  0.519                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      1.0134                 4.3798                 0.1959
  Dep-P Fr= 1--      0.1842                 0.1161                 0.1435
  Dep-U Fr= 1--      0.3111                 0.2081                 0.2509
 Alpha2 Fr= 1--      0.0143                 0.0737                 0.0031
 Beta2  Fr= 1--      0.0526                 0.1519                 0.0082
 AlphaG Fr= 1--      0.0040                -0.0343                -0.0333
 Gamma2 Fr= 1--      0.3259                -0.2546                -0.7122
 Delta2 Fr= 1--      0.1404                 0.0637                -0.0485
 Raman1 Fr= 1--       4.054                 17.519                  0.784
 ROA1   Fr= 1--      35.777                -22.400                -69.928
 CID1   Fr= 1--       8.826                 -1.279                -89.244
 Raman2 Fr= 1--       0.631                  1.823                  0.098
 ROA2   Fr= 1--       6.699                 -6.619                -16.705
 CID2   Fr= 1--      10.622                 -3.631               -169.939
 Raman3 Fr= 1--       1.261                  3.646                  0.197
 ROA3   Fr= 1--      35.777                -22.400                -69.928
 CID3   Fr= 1--      28.366                 -6.144               -355.681
 RC180  Fr= 1--      -0.378                 -0.584                 -0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.7866                 1.9428                 1.2162
  Dep-P Fr= 1--      0.5723                 0.1314                 0.3352
  Dep-U Fr= 1--      0.7280                 0.2323                 0.5021
 Alpha2 Fr= 1--      0.0026                 0.0315                 0.0112
 Beta2  Fr= 1--      0.0954                 0.0752                 0.1018
 AlphaG Fr= 1--      0.0011                 0.0084                 0.0179
 Gamma2 Fr= 1--     -0.4722                 0.1126                -0.0151
 Delta2 Fr= 1--     -0.1700                 0.0561                 0.0092
 Raman1 Fr= 1--       3.146                  7.771                  4.865
 ROA1   Fr= 1--     -50.776                 12.605                 -1.157
 CID1   Fr= 1--     -16.139                  1.622                 -0.238
 Raman2 Fr= 1--       1.145                  0.903                  1.221
 ROA2   Fr= 1--      -9.974                  2.254                 -0.437
 CID2   Fr= 1--      -8.709                  2.497                 -0.358
 Raman3 Fr= 1--       2.290                  1.805                  2.443
 ROA3   Fr= 1--     -50.776                 12.605                 -1.157
 CID3   Fr= 1--     -22.170                  6.982                 -0.474
 RC180  Fr= 1--       0.456                 -0.535                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.1496                 1.2593                 2.9827
  Dep-P Fr= 1--      0.2581                 0.7022                 0.6435
  Dep-U Fr= 1--      0.4103                 0.8250                 0.7831
 Alpha2 Fr= 1--      0.0017                 0.0010                 0.0057
 Beta2  Fr= 1--      0.0102                 0.1732                 0.3893
 AlphaG Fr= 1--     -0.0108                 0.0065                -0.0089
 Gamma2 Fr= 1--      0.0072                -1.3034                -0.2662
 Delta2 Fr= 1--     -0.0925                 0.0184                -0.1511
 Raman1 Fr= 1--       0.599                  5.037                 11.931
 ROA1   Fr= 1--      -2.266               -124.537                -30.385
 CID1   Fr= 1--      -3.786                -24.723                 -2.547
 Raman2 Fr= 1--       0.123                  2.078                  4.671
 ROA2   Fr= 1--       0.913                -31.429                 -5.179
 CID2   Fr= 1--       7.437                -15.125                 -1.109
 Raman3 Fr= 1--       0.246                  4.156                  9.343
 ROA3   Fr= 1--      -2.266               -124.537                -30.385
 CID3   Fr= 1--      -9.226                -29.967                 -3.252
 RC180  Fr= 1--      -0.179                  0.650                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.3895                 2.8729                 5.5581
  Dep-P Fr= 1--      0.4746                 0.0372                 0.0607
  Dep-U Fr= 1--      0.6437                 0.0718                 0.1145
 Alpha2 Fr= 1--      0.0298                 0.0585                 0.1070
 Beta2  Fr= 1--      0.5782                 0.0344                 0.1061
 AlphaG Fr= 1--     -0.0621                 0.0359                 0.0491
 Gamma2 Fr= 1--     -0.0167                 0.6934                -0.4068
 Delta2 Fr= 1--     -0.0301                 0.1325                 0.0090
 Raman1 Fr= 1--      21.558                 11.491                 22.232
 ROA1   Fr= 1--      -2.567                 70.809                -38.761
 CID1   Fr= 1--      -0.119                  6.162                 -1.743
 Raman2 Fr= 1--       6.939                  0.413                  1.273
 ROA2   Fr= 1--      -0.160                 15.582                 -9.834
 CID2   Fr= 1--      -0.023                 37.767                 -7.726
 Raman3 Fr= 1--      13.877                  0.825                  2.546
 ROA3   Fr= 1--      -2.567                 70.809                -38.761
 CID3   Fr= 1--      -0.185                 85.813                -15.226
 RC180  Fr= 1--       0.287                 -0.856                 -0.771
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     29.3061                 1.3908                 5.7835
  Dep-P Fr= 1--      0.0553                 0.1524                 0.1002
  Dep-U Fr= 1--      0.1048                 0.2645                 0.1821
 Alpha2 Fr= 1--      0.5716                 0.0214                 0.1012
 Beta2  Fr= 1--      0.5117                 0.0613                 0.1755
 AlphaG Fr= 1--      0.1265                 0.0222                -0.0269
 Gamma2 Fr= 1--     -1.7738                 1.2836                 4.1828
 Delta2 Fr= 1--     -1.3151                 0.3139                 2.9042
 Raman1 Fr= 1--     117.224                  5.563                 23.134
 ROA1   Fr= 1--    -212.366                133.270                494.483
 CID1   Fr= 1--      -1.812                 23.955                 21.375
 Raman2 Fr= 1--       6.141                  0.736                  2.106
 ROA2   Fr= 1--     -32.050                 28.294                 77.153
 CID2   Fr= 1--      -5.219                 38.464                 36.628
 Raman3 Fr= 1--      12.282                  1.471                  4.213
 ROA3   Fr= 1--    -212.366                133.270                494.483
 CID3   Fr= 1--     -17.291                 90.584                117.376
 RC180  Fr= 1--      -0.790                 -0.471                 -0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.5752                15.2341                 5.9304
  Dep-P Fr= 1--      0.5930                 0.1643                 0.0467
  Dep-U Fr= 1--      0.7445                 0.2823                 0.0893
 Alpha2 Fr= 1--      0.0046                 0.2270                 0.1181
 Beta2  Fr= 1--      0.1955                 0.7168                 0.0883
 AlphaG Fr= 1--     -0.0087                -0.0805                 0.0763
 Gamma2 Fr= 1--     -0.4962                -0.1762                -1.4451
 Delta2 Fr= 1--     -0.4612                -0.7642                -0.5980
 Raman1 Fr= 1--       6.301                 60.936                 23.722
 ROA1   Fr= 1--     -62.392                -41.374               -157.866
 CID1   Fr= 1--      -9.902                 -0.679                 -6.655
 Raman2 Fr= 1--       2.346                  8.601                  1.059
 ROA2   Fr= 1--      -8.219                  1.884                -29.899
 CID2   Fr= 1--      -3.504                  0.219                -28.226
 Raman3 Fr= 1--       4.691                 17.202                  2.119
 ROA3   Fr= 1--     -62.392                -41.374               -157.866
 CID3   Fr= 1--     -13.300                 -2.405                -74.517
 RC180  Fr= 1--       0.489                 -0.435                 -0.821
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.2903                 1.3233                 4.1573
  Dep-P Fr= 1--      0.7462                 0.4738                 0.7171
  Dep-U Fr= 1--      0.8547                 0.6429                 0.8352
 Alpha2 Fr= 1--      0.0001                 0.0073                 0.0024
 Beta2  Fr= 1--      0.3262                 0.1418                 0.5787
 AlphaG Fr= 1--     -0.0014                -0.0226                -0.0259
 Gamma2 Fr= 1--      0.6211                 0.3117                 0.7497
 Delta2 Fr= 1--      0.1430                 0.7179                -0.3453
 Raman1 Fr= 1--       9.161                  5.293                 16.629
 ROA1   Fr= 1--      64.201                 52.899                 60.924
 CID1   Fr= 1--       7.008                  9.993                  3.664
 Raman2 Fr= 1--       3.915                  1.702                  6.944
 ROA2   Fr= 1--      13.762                  1.739                 20.755
 CID2   Fr= 1--       3.515                  1.022                  2.989
 Raman3 Fr= 1--       7.830                  3.403                 13.889
 ROA3   Fr= 1--      64.201                 52.899                 60.924
 CID3   Fr= 1--       8.199                 15.543                  4.387
 RC180  Fr= 1--       0.709                  0.286                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.4775                 2.3398                 0.4961
  Dep-P Fr= 1--      0.6250                 0.6420                 0.7224
  Dep-U Fr= 1--      0.7692                 0.7820                 0.8389
 Alpha2 Fr= 1--      0.0056                 0.0046                 0.0002
 Beta2  Fr= 1--      0.3176                 0.3049                 0.0694
 AlphaG Fr= 1--      0.0122                -0.0154                -0.0046
 Gamma2 Fr= 1--      1.2829                 0.8608                -0.6654
 Delta2 Fr= 1--      0.3067                -0.0139                 0.4657
 Raman1 Fr= 1--       9.910                  9.359                  1.984
 ROA1   Fr= 1--     132.971                 82.192                -48.979
 CID1   Fr= 1--      13.418                  8.782                -24.681
 Raman2 Fr= 1--       3.811                  3.659                  0.832
 ROA2   Fr= 1--      28.335                 20.770                -19.696
 CID2   Fr= 1--       7.434                  5.676                -23.663
 Raman3 Fr= 1--       7.623                  7.319                  1.665
 ROA3   Fr= 1--     132.971                 82.192                -48.979
 CID3   Fr= 1--      17.444                 11.230                -29.423
 RC180  Fr= 1--       0.538                  0.564                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--      9.9553                 0.0852                 1.8580
  Dep-P Fr= 1--      0.2552                 0.7257                 0.6576
  Dep-U Fr= 1--      0.4066                 0.8410                 0.7934
 Alpha2 Fr= 1--      0.1163                 0.0000                 0.0031
 Beta2  Fr= 1--      0.6747                 0.0119                 0.2457
 AlphaG Fr= 1--      0.0277                 0.0004                 0.0070
 Gamma2 Fr= 1--     -0.2153                 0.0207                -0.7883
 Delta2 Fr= 1--     -1.6142                 0.1307                 1.1877
 Raman1 Fr= 1--      39.821                  0.341                  7.432
 ROA1   Fr= 1--     -72.321                  6.171                -37.669
 CID1   Fr= 1--      -1.816                 18.116                 -5.069
 Raman2 Fr= 1--       8.096                  0.143                  2.948
 ROA2   Fr= 1--       7.747                 -0.548                -28.421
 CID2   Fr= 1--       0.957                 -3.822                 -9.640
 Raman3 Fr= 1--      16.192                  0.286                  5.897
 ROA3   Fr= 1--     -72.321                  6.171                -37.669
 CID3   Fr= 1--      -4.467                 21.541                 -6.388
 RC180  Fr= 1--      -0.187                  0.682                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      2.8741                 5.9724                18.9128
  Dep-P Fr= 1--      0.5528                 0.1415                 0.3640
  Dep-U Fr= 1--      0.7120                 0.2480                 0.5337
 Alpha2 Fr= 1--      0.0108                 0.0943                 0.1586
 Beta2  Fr= 1--      0.3411                 0.2468                 1.6824
 AlphaG Fr= 1--     -0.0078                 0.0499                 0.0846
 Gamma2 Fr= 1--      1.6772                -0.7416                -1.3518
 Delta2 Fr= 1--      1.8460                -0.9030                -0.5037
 Raman1 Fr= 1--      11.496                 23.890                 75.651
 ROA1   Fr= 1--     220.084               -100.087               -145.896
 CID1   Fr= 1--      19.144                 -4.190                 -1.929
 Raman2 Fr= 1--       4.093                  2.962                 20.188
 ROA2   Fr= 1--      25.484                -10.574                -28.414
 CID2   Fr= 1--       6.227                 -3.570                 -1.407
 Raman3 Fr= 1--       8.185                  5.924                 40.377
 ROA3   Fr= 1--     220.084               -100.087               -145.896
 CID3   Fr= 1--      26.887                -16.896                 -3.613
 RC180  Fr= 1--       0.424                 -0.504                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.3714                 0.9492                 2.7225
  Dep-P Fr= 1--      0.5343                 0.6851                 0.5716
  Dep-U Fr= 1--      0.6965                 0.8131                 0.7274
 Alpha2 Fr= 1--      0.0099                 0.0011                 0.0092
 Beta2  Fr= 1--      0.2753                 0.1286                 0.3301
 AlphaG Fr= 1--     -0.0111                 0.0068                 0.0018
 Gamma2 Fr= 1--     -0.6663                -1.1114                -1.6695
 Delta2 Fr= 1--     -1.0400                -0.4652                 0.4087
 Raman1 Fr= 1--       9.486                  3.797                 10.890
 ROA1   Fr= 1--     -97.240               -121.580               -147.197
 CID1   Fr= 1--     -10.251                -32.021                -13.517
 Raman2 Fr= 1--       3.303                  1.544                  3.961
 ROA2   Fr= 1--      -7.670                -22.952                -43.339
 CID2   Fr= 1--      -2.322                -14.868                -10.942
 Raman3 Fr= 1--       6.606                  3.087                  7.922
 ROA3   Fr= 1--     -97.240               -121.580               -147.197
 CID3   Fr= 1--     -14.719                -39.379                -18.582
 RC180  Fr= 1--       0.393                  0.626                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     45.8695                36.0907                31.2410
  Dep-P Fr= 1--      0.0998                 0.1431                 0.1151
  Dep-U Fr= 1--      0.1815                 0.2504                 0.2065
 Alpha2 Fr= 1--      0.8035                 0.5677                 0.5270
 Beta2  Fr= 1--      1.3875                 1.5062                 1.0751
 AlphaG Fr= 1--     -0.1472                -0.0110                 0.0437
 Gamma2 Fr= 1--     -1.7196                 0.5879                 1.3497
 Delta2 Fr= 1--      0.2432                -0.2505                 0.0645
 Raman1 Fr= 1--     183.478                144.363                124.964
 ROA1   Fr= 1--    -157.301                 48.421                131.635
 CID1   Fr= 1--      -0.857                  0.335                  1.053
 Raman2 Fr= 1--      16.651                 18.075                 12.901
 ROA2   Fr= 1--     -43.216                 16.114                 31.877
 CID2   Fr= 1--      -2.595                  0.892                  2.471
 Raman3 Fr= 1--      33.301                 36.149                 25.803
 ROA3   Fr= 1--    -157.301                 48.421                131.635
 CID3   Fr= 1--      -4.724                  1.339                  5.102
 RC180  Fr= 1--      -0.637                 -0.499                 -0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      5.8167                 3.7410                 3.3360
  Dep-P Fr= 1--      0.5422                 0.5909                 0.6511
  Dep-U Fr= 1--      0.7031                 0.7428                 0.7887
 Alpha2 Fr= 1--      0.0232                 0.0111                 0.0059
 Beta2  Fr= 1--      0.6816                 0.4632                 0.4385
 AlphaG Fr= 1--     -0.0405                -0.0088                -0.0207
 Gamma2 Fr= 1--     -2.7062                 0.4199                -2.0083
 Delta2 Fr= 1--      0.0542                -0.5000                 0.8934
 Raman1 Fr= 1--      23.267                 14.964                 13.344
 ROA1   Fr= 1--    -258.060                 24.315               -164.210
 CID1   Fr= 1--     -11.091                  1.625                -12.306
 Raman2 Fr= 1--       8.180                  5.558                  5.262
 ROA2   Fr= 1--     -65.383                 14.078                -55.346
 CID2   Fr= 1--      -7.993                  2.533                -10.518
 Raman3 Fr= 1--      16.360                 11.116                 10.524
 ROA3   Fr= 1--    -258.060                 24.315               -164.210
 CID3   Fr= 1--     -15.774                  2.187                -15.603
 RC180  Fr= 1--       0.406                  0.486                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     20.8054                 4.7214                 3.0700
  Dep-P Fr= 1--      0.2869                 0.6362                 0.4818
  Dep-U Fr= 1--      0.4459                 0.7777                 0.6503
 Alpha2 Fr= 1--      0.2218                 0.0097                 0.0165
 Beta2  Fr= 1--      1.5461                 0.6119                 0.3328
 AlphaG Fr= 1--     -0.0569                 0.0872                 0.0142
 Gamma2 Fr= 1--     -2.8096                 7.3054                 0.4847
 Delta2 Fr= 1--     -0.1791                 3.4736                 0.2031
 Raman1 Fr= 1--      83.221                 18.886                 12.280
 ROA1   Fr= 1--    -275.451                812.471                 53.033
 CID1   Fr= 1--      -3.310                 43.021                  4.319
 Raman2 Fr= 1--      18.553                  7.343                  3.993
 ROA2   Fr= 1--     -65.997                147.541                 10.009
 CID2   Fr= 1--      -3.557                 20.092                  2.507
 Raman3 Fr= 1--      37.106                 14.687                  7.986
 ROA3   Fr= 1--    -275.451                812.471                 53.033
 CID3   Fr= 1--      -7.423                 55.320                  6.641
 RC180  Fr= 1--      -0.108                  0.555                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      5.4650                17.5222                 4.1983
  Dep-P Fr= 1--      0.2479                 0.5215                 0.7492
  Dep-U Fr= 1--      0.3974                 0.6855                 0.8566
 Alpha2 Fr= 1--      0.0651                 0.0780                 0.0001
 Beta2  Fr= 1--      0.3619                 2.0020                 0.5994
 AlphaG Fr= 1--      0.1523                 0.0511                -0.0023
 Gamma2 Fr= 1--      2.5743                -0.1351                 1.1740
 Delta2 Fr= 1--      0.0282                -1.9058                -1.7419
 Raman1 Fr= 1--      21.860                 70.089                 16.793
 ROA1   Fr= 1--     248.032                -73.955                 56.958
 CID1   Fr= 1--      11.346                 -1.055                  3.392
 Raman2 Fr= 1--       4.343                 24.024                  7.193
 ROA2   Fr= 1--      61.557                 12.004                 42.110
 CID2   Fr= 1--      14.173                  0.500                  5.854
 Raman3 Fr= 1--       8.686                 48.048                 14.386
 ROA3   Fr= 1--     248.032                -73.955                 56.958
 CID3   Fr= 1--      28.555                 -1.539                  3.959
 RC180  Fr= 1--      -0.205                  0.371                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.0817                 1.1873                 1.6861
  Dep-P Fr= 1--      0.6189                 0.5095                 0.3857
  Dep-U Fr= 1--      0.7646                 0.6750                 0.5567
 Alpha2 Fr= 1--      0.0002                 0.0056                 0.0131
 Beta2  Fr= 1--      0.0104                 0.1336                 0.1564
 AlphaG Fr= 1--      0.0012                 0.0025                 0.0029
 Gamma2 Fr= 1--     -0.0794                -0.2052                -0.0613
 Delta2 Fr= 1--     -0.0020                 0.0912                -0.1522
 Raman1 Fr= 1--       0.327                  4.749                  6.745
 ROA1   Fr= 1--      -7.683                -16.778                -10.758
 CID1   Fr= 1--     -23.505                 -3.533                 -1.595
 Raman2 Fr= 1--       0.125                  1.603                  1.877
 ROA2   Fr= 1--      -1.889                 -5.654                 -0.254
 CID2   Fr= 1--     -15.121                 -3.527                 -0.135
 Raman3 Fr= 1--       0.250                  3.206                  3.755
 ROA3   Fr= 1--      -7.683                -16.778                -10.758
 CID3   Fr= 1--     -30.743                 -5.234                 -2.865
 RC180  Fr= 1--       0.529                  0.350                  0.113
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.6197                 1.6650                10.3748
  Dep-P Fr= 1--      0.7176                 0.6155                 0.7148
  Dep-U Fr= 1--      0.8356                 0.7620                 0.8337
 Alpha2 Fr= 1--      0.0003                 0.0041                 0.0063
 Beta2  Fr= 1--      0.0863                 0.2114                 1.4415
 AlphaG Fr= 1--      0.0068                 0.0329                -0.0124
 Gamma2 Fr= 1--     -2.9310                 1.0682                 2.2145
 Delta2 Fr= 1--      1.2467                -0.3987                -0.3206
 Raman1 Fr= 1--       2.479                  6.660                 41.499
 ROA1   Fr= 1--    -241.483                 89.785                202.338
 CID1   Fr= 1--     -97.427                 13.482                  4.876
 Raman2 Fr= 1--       1.036                  2.537                 17.298
 ROA2   Fr= 1--     -80.318                 28.825                 55.714
 CID2   Fr= 1--     -77.560                 11.361                  3.221
 Raman3 Fr= 1--       2.071                  5.075                 34.596
 ROA3   Fr= 1--    -241.483                 89.785                202.338
 CID3   Fr= 1--    -116.595                 17.693                  5.849
 RC180  Fr= 1--       0.671                  0.524                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      5.2306                 3.1228                 4.8750
  Dep-P Fr= 1--      0.6054                 0.7231                 0.6695
  Dep-U Fr= 1--      0.7542                 0.8393                 0.8021
 Alpha2 Fr= 1--      0.0140                 0.0014                 0.0070
 Beta2  Fr= 1--      0.6575                 0.4368                 0.6517
 AlphaG Fr= 1--      0.0146                 0.0010                 0.0521
 Gamma2 Fr= 1--     -0.4100                 0.5153                 0.4167
 Delta2 Fr= 1--     -1.0823                -1.0707                 1.6599
 Raman1 Fr= 1--      20.922                 12.491                 19.500
 ROA1   Fr= 1--     -73.999                 15.211                 93.116
 CID1   Fr= 1--      -3.537                  1.218                  4.775
 Raman2 Fr= 1--       7.890                  5.242                  7.820
 ROA2   Fr= 1--      -1.182                 20.934                 -3.279
 CID2   Fr= 1--      -0.150                  3.993                 -0.419
 Raman3 Fr= 1--      15.780                 10.484                 15.640
 ROA3   Fr= 1--     -73.999                 15.211                 93.116
 CID3   Fr= 1--      -4.689                  1.451                  5.954
 RC180  Fr= 1--       0.508                  0.679                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      7.1097                 0.8930                 0.1563
  Dep-P Fr= 1--      0.7338                 0.4937                 0.5317
  Dep-U Fr= 1--      0.8464                 0.6611                 0.6943
 Alpha2 Fr= 1--      0.0020                 0.0045                 0.0007
 Beta2  Fr= 1--      1.0030                 0.0984                 0.0181
 AlphaG Fr= 1--      0.0102                -0.0041                 0.0077
 Gamma2 Fr= 1--     -0.6670                -1.4041                 0.2130
 Delta2 Fr= 1--      0.1600                -0.2782                 0.0619
 Raman1 Fr= 1--      28.439                  3.572                  0.625
 ROA1   Fr= 1--     -58.906               -143.696                 22.427
 CID1   Fr= 1--      -2.071                -40.229                 35.878
 Raman2 Fr= 1--      12.036                  1.181                  0.217
 ROA2   Fr= 1--     -17.287                -31.473                  4.616
 CID2   Fr= 1--      -1.436                -26.657                 21.273
 Raman3 Fr= 1--      24.072                  2.361                  0.434
 ROA3   Fr= 1--     -58.906               -143.696                 22.427
 CID3   Fr= 1--      -2.447                -60.855                 51.676
 RC180  Fr= 1--       0.693                  0.322                  0.389
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      1.9128               133.6416                15.5760
  Dep-P Fr= 1--      0.6684                 0.4863                 0.1970
  Dep-U Fr= 1--      0.8013                 0.6543                 0.3292
 Alpha2 Fr= 1--      0.0028                 0.7027                 0.2132
 Beta2  Fr= 1--      0.2554                14.5744                 0.8546
 AlphaG Fr= 1--     -0.0477                -0.1150                -0.4956
 Gamma2 Fr= 1--      0.1813                -1.2663                -2.3136
 Delta2 Fr= 1--     -0.1120                -0.5319                 0.8567
 Raman1 Fr= 1--       7.651                534.566                 62.304
 ROA1   Fr= 1--      13.819               -138.588               -194.694
 CID1   Fr= 1--       1.806                 -0.259                 -3.125
 Raman2 Fr= 1--       3.065                174.893                 10.255
 ROA2   Fr= 1--       5.246                -26.137                -62.381
 CID2   Fr= 1--       1.711                 -0.149                 -6.083
 Raman3 Fr= 1--       6.131                349.786                 20.511
 ROA3   Fr= 1--      13.819               -138.588               -194.694
 CID3   Fr= 1--       2.254                 -0.396                 -9.492
 RC180  Fr= 1--       0.603                  0.309                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    133.4991                14.0222                31.0395
  Dep-P Fr= 1--      0.1954                 0.6417                 0.2593
  Dep-U Fr= 1--      0.3269                 0.7818                 0.4119
 Alpha2 Fr= 1--      1.8351                 0.0274                 0.3583
 Beta2  Fr= 1--      7.2743                 1.8270                 2.1306
 AlphaG Fr= 1--      1.0391                 0.0720                -0.2049
 Gamma2 Fr= 1--     10.3245                -4.1923                 0.7366
 Delta2 Fr= 1--      6.0580                -2.0752                -3.5938
 Raman1 Fr= 1--     533.996                 56.089                124.158
 ROA1   Fr= 1--    1185.007               -468.867                -44.289
 CID1   Fr= 1--       2.219                 -8.359                 -0.357
 Raman2 Fr= 1--      87.291                 21.924                 25.567
 ROA2   Fr= 1--     199.324                -84.014                 46.429
 CID2   Fr= 1--       2.283                 -3.832                  1.816
 Raman3 Fr= 1--     174.582                 43.848                 51.134
 ROA3   Fr= 1--    1185.007               -468.867                -44.289
 CID3   Fr= 1--       6.788                -10.693                 -0.866
 RC180  Fr= 1--      -0.346                  0.564                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    417.7990               225.7485                29.6226
  Dep-P Fr= 1--      0.0090                 0.0639                 0.7214
  Dep-U Fr= 1--      0.0179                 0.1201                 0.8382
 Alpha2 Fr= 1--      9.0906                 4.3137                 0.0146
 Beta2  Fr= 1--      1.2460                 4.5190                 4.1381
 AlphaG Fr= 1--     -1.0437                -0.2997                -0.1520
 Gamma2 Fr= 1--     -1.6028                 0.7146                -0.8410
 Delta2 Fr= 1--      0.0743                 3.7545                 1.7496
 Raman1 Fr= 1--    1671.196                902.994                118.490
 ROA1   Fr= 1--    -151.492                188.748                -24.750
 CID1   Fr= 1--      -0.091                  0.209                 -0.209
 Raman2 Fr= 1--      14.952                 54.228                 49.658
 ROA2   Fr= 1--     -39.062                -12.884                -34.181
 CID2   Fr= 1--      -2.612                 -0.238                 -0.688
 Raman3 Fr= 1--      29.904                108.457                 99.315
 ROA3   Fr= 1--    -151.492                188.748                -24.750
 CID3   Fr= 1--      -5.066                  1.740                 -0.249
 RC180  Fr= 1--      -0.964                 -0.760                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     65.7406                23.2624               110.5573
  Dep-P Fr= 1--      0.1949                 0.7413                 0.4543
  Dep-U Fr= 1--      0.3263                 0.8514                 0.6247
 Alpha2 Fr= 1--      0.9048                 0.0034                 0.6661
 Beta2  Fr= 1--      3.5750                 3.3010                11.5116
 AlphaG Fr= 1--     -0.0305                -0.0209                -1.3705
 Gamma2 Fr= 1--     -0.9937                -9.4535                 5.5047
 Delta2 Fr= 1--     -3.1303                 3.7266               -14.1339
 Raman1 Fr= 1--     262.962                 93.050                442.229
 ROA1   Fr= 1--    -195.564               -788.285                 76.171
 CID1   Fr= 1--      -0.744                 -8.472                  0.172
 Raman2 Fr= 1--      42.899                 39.612                138.139
 ROA2   Fr= 1--       1.193               -256.696                245.185
 CID2   Fr= 1--       0.028                 -6.480                  1.775
 Raman3 Fr= 1--      85.799                 79.225                276.279
 ROA3   Fr= 1--    -195.564               -788.285                 76.171
 CID3   Fr= 1--      -2.279                 -9.950                  0.276
 RC180  Fr= 1--      -0.347                  0.703                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    122.5106                51.5358               107.3783
  Dep-P Fr= 1--      0.6575                 0.7006                 0.6819
  Dep-U Fr= 1--      0.7934                 0.8239                 0.8108
 Alpha2 Fr= 1--      0.2025                 0.0444                 0.1289
 Beta2  Fr= 1--     16.1996                 7.0770                14.5112
 AlphaG Fr= 1--     -0.2634                -0.1364                 0.0821
 Gamma2 Fr= 1--      2.6192                -9.5198                 0.4984
 Delta2 Fr= 1--      8.0693                -0.1943                -5.1737
 Raman1 Fr= 1--     490.042                206.143                429.513
 ROA1   Fr= 1--     509.662               -920.117               -117.714
 CID1   Fr= 1--       1.040                 -4.463                 -0.274
 Raman2 Fr= 1--     194.395                 84.924                174.134
 ROA2   Fr= 1--      -1.694               -226.920                 53.350
 CID2   Fr= 1--      -0.009                 -2.672                  0.306
 Raman3 Fr= 1--     388.790                169.848                348.268
 ROA3   Fr= 1--     509.662               -920.117               -117.714
 CID3   Fr= 1--       1.311                 -5.417                 -0.338
 RC180  Fr= 1--       0.587                  0.648                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     27.6569                54.5353                51.0308
  Dep-P Fr= 1--      0.6775                 0.6983                 0.6074
  Dep-U Fr= 1--      0.8077                 0.8223                 0.7558
 Alpha2 Fr= 1--      0.0354                 0.0492                 0.1341
 Beta2  Fr= 1--      3.7232                 7.4744                 6.4279
 AlphaG Fr= 1--      0.0652                 0.0614                -0.0989
 Gamma2 Fr= 1--     -1.1909                 0.1012                -1.8553
 Delta2 Fr= 1--      2.2886                -0.6519                 1.7236
 Raman1 Fr= 1--     110.628                218.141                204.123
 ROA1   Fr= 1--     -41.097                -11.145               -122.952
 CID1   Fr= 1--      -0.371                 -0.051                 -0.602
 Raman2 Fr= 1--      44.678                 89.693                 77.135
 ROA2   Fr= 1--     -46.891                  7.643                -58.315
 CID2   Fr= 1--      -1.050                  0.085                 -0.756
 Raman3 Fr= 1--      89.357                179.387                154.270
 ROA3   Fr= 1--     -41.097                -11.145               -122.952
 CID3   Fr= 1--      -0.460                 -0.062                 -0.797
 RC180  Fr= 1--       0.615                  0.645                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    119.2523               119.5323               132.3724
  Dep-P Fr= 1--      0.1539                 0.1304                 0.2441
  Dep-U Fr= 1--      0.2667                 0.2307                 0.3925
 Alpha2 Fr= 1--      1.8256                 1.9413                 1.5948
 Beta2  Fr= 1--      5.3003                 4.5962                 8.6583
 AlphaG Fr= 1--      0.1006                -0.3448                -0.4360
 Gamma2 Fr= 1--      1.4013                 0.2029                -6.3323
 Delta2 Fr= 1--      0.8151                -1.4546                -0.1010
 Raman1 Fr= 1--     477.009                478.129                529.490
 ROA1   Fr= 1--     160.608                -27.066               -611.137
 CID1   Fr= 1--       0.337                 -0.057                 -1.154
 Raman2 Fr= 1--      63.604                 55.154                103.899
 ROA2   Fr= 1--      27.111                 16.508               -151.168
 CID2   Fr= 1--       0.426                  0.299                 -1.455
 Raman3 Fr= 1--     127.208                110.308                207.798
 ROA3   Fr= 1--     160.608                -27.066               -611.137
 CID3   Fr= 1--       1.263                 -0.245                 -2.941
 RC180  Fr= 1--      -0.467                 -0.539                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220775D+03 -0.164226D+01  0.204008D+01
      2  -0.164226D+01  0.139206D+03 -0.751019D+01
      3   0.204008D+01 -0.751019D+01  0.150143D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.791160D+01 -0.707278D+01  0.236356D+02
      2  -0.915937D+00 -0.655597D+01  0.359447D+02
      3  -0.100898D+03 -0.423759D+02  0.120340D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.251834D+03  0.389770D+02 -0.229167D+02
      2  -0.134784D+03 -0.240723D+02  0.414547D+02
      3  -0.117049D+03 -0.149047D+02 -0.185380D+02
      4  -0.422688D+02  0.763575D+02 -0.145929D+02
      5  -0.263743D+02 -0.203350D+02  0.748904D+02
      6   0.205026D+00  0.215619D+02 -0.365538D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118962D+02 -0.131729D+00  0.798541D+00  0.577536D+01  0.203799D+01
      2  -0.131729D+00  0.138429D+01  0.106348D-01  0.203799D+01  0.200331D+01
      3   0.798541D+00  0.106348D-01  0.147566D+01 -0.257530D+00 -0.280525D+01
                 6             7             8             9            10 
      1  -0.257530D+00 -0.101811D+02  0.226747D+00 -0.322137D+00  0.301278D+02
      2  -0.280525D+01  0.226747D+00 -0.131281D+01 -0.113958D+01  0.153969D+01
      3  -0.210992D+01 -0.322137D+00 -0.113958D+01 -0.211624D+01 -0.104334D+01
                11            12            13            14            15 
      1   0.153969D+01 -0.104334D+01 -0.531823D+00  0.451993D+01  0.133264D+01
      2   0.199731D+01 -0.698046D+00  0.451993D+01 -0.786543D+00 -0.174640D+00
      3  -0.698046D+00  0.295049D+01  0.133264D+01 -0.174640D+00 -0.893056D+00
                16            17            18            19            20 
      1  -0.381674D+01  0.149891D+01  0.107678D+01  0.866891D+01 -0.931333D-02
      2   0.149891D+01  0.104987D+00 -0.678249D+00 -0.931333D-02 -0.134916D+01
      3   0.107678D+01 -0.678249D+00 -0.366491D+00 -0.769270D+00 -0.361565D+00
                21            22            23            24            25 
      1  -0.769270D+00  0.420956D+01 -0.138153D+01 -0.102275D+01 -0.132427D+02
      2  -0.361565D+00 -0.138153D+01  0.253188D+01 -0.228468D+01 -0.150543D+00
      3  -0.329711D+01 -0.102275D+01 -0.228468D+01 -0.121059D+01  0.457437D+00
                26            27            28            29            30 
      1  -0.150543D+00  0.457437D+00 -0.274979D+02 -0.644664D+00  0.998615D+00
      2  -0.809209D+00 -0.718009D+00 -0.644664D+00 -0.161081D+01  0.234422D+00
      3  -0.718009D+00 -0.166314D+01  0.998615D+00  0.234422D+00 -0.271493D+01
                31            32            33            34            35 
      1   0.195728D+01 -0.479574D+01 -0.139031D+01  0.250403D+01 -0.128488D+01
      2  -0.479574D+01  0.525688D+00  0.387065D+00 -0.128488D+01 -0.562854D-01
      3  -0.139031D+01  0.387065D+00  0.523338D-01 -0.725947D+00 -0.806525D+00
                36            37            38            39            40 
      1  -0.725947D+00  0.131078D+02 -0.357105D+00 -0.803728D+00 -0.382589D+01
      2  -0.806525D+00 -0.357105D+00 -0.242856D+01  0.136100D+01 -0.169355D+01
      3   0.856833D+00 -0.803728D+00  0.136100D+01 -0.225862D+01 -0.115534D+00
                41            42            43            44            45 
      1  -0.169355D+01 -0.115534D+00  0.111897D+02 -0.162601D+01  0.453733D+00
      2  -0.270986D+01  0.258293D+01 -0.162601D+01  0.133716D+01  0.127907D+01
      3   0.258293D+01  0.193620D+01  0.453733D+00  0.127907D+01  0.174212D+01
                46            47            48            49            50 
      1  -0.961211D+01  0.421038D+00  0.489924D+00 -0.294834D+01  0.100740D+01
      2   0.421038D+00  0.196359D+01 -0.754727D+00  0.100740D+01 -0.350721D+01
      3   0.489924D+00 -0.754727D+00  0.362157D+01  0.146420D+01  0.216688D+01
                51            52            53            54            55 
      1   0.146420D+01  0.130070D+02  0.130000D+01 -0.935588D+00 -0.148239D+02
      2   0.216688D+01  0.130000D+01  0.326915D-01  0.142406D+01 -0.216996D+01
      3   0.117385D+01 -0.935588D+00  0.142406D+01  0.878907D+00 -0.470815D+00
                56            57            58            59            60 
      1  -0.216996D+01 -0.470815D+00 -0.560721D+01 -0.705275D+01 -0.512621D+00
      2  -0.349077D+01 -0.145924D+00 -0.705275D+01  0.245915D+01 -0.170427D+01
      3  -0.145924D+00 -0.137049D+01 -0.512621D+00 -0.170427D+01 -0.777809D-01
                61            62            63            64            65 
      1  -0.564057D+01 -0.127679D+01 -0.298887D+01 -0.118901D+01  0.310900D+01
      2  -0.127679D+01 -0.308021D+01  0.549174D+00  0.310900D+01  0.385998D+01
      3  -0.298887D+01  0.549174D+00  0.530641D+01  0.781718D-01  0.399293D+00
                66            67            68            69            70 
      1   0.781718D-01  0.108454D+02  0.636227D+01  0.748106D+00  0.572213D+01
      2   0.399293D+00  0.636227D+01 -0.192493D+01  0.216818D+01  0.131401D+01
      3   0.243054D+01  0.748106D+00  0.216818D+01  0.569027D+00  0.367694D+01
                71            72            73            74            75 
      1   0.131401D+01  0.367694D+01  0.598364D+01 -0.248358D+01 -0.121556D+01
      2   0.319427D+01  0.612086D+00 -0.248358D+01 -0.349691D+01 -0.703905D+00
      3   0.612086D+00 -0.712810D+01 -0.121556D+01 -0.703905D+00 -0.187098D+01
                76            77            78            79            80 
      1  -0.363718D+01 -0.387777D+01 -0.893935D+00 -0.225157D+01 -0.917940D+00
      2  -0.387777D+01  0.127683D+00 -0.287341D+01 -0.917940D+00 -0.398228D+01
      3  -0.893935D+00 -0.287341D+01 -0.108473D+01 -0.263150D+01 -0.193000D+01
                81            82            83            84            85 
      1  -0.263150D+01  0.589852D+01 -0.187022D+01 -0.579194D+00 -0.381697D+01
      2  -0.193000D+01 -0.187022D+01 -0.341915D+01 -0.573118D+00 -0.543651D+01
      3   0.532373D+01 -0.579194D+00 -0.573118D+00 -0.280147D+01 -0.850609D+00
                86            87            88            89            90 
      1  -0.543651D+01 -0.850609D+00 -0.197470D+01 -0.906108D+00 -0.446330D+01
      2   0.225323D+01 -0.372703D+01 -0.906108D+00 -0.382980D+01 -0.337073D+00
      3  -0.372703D+01 -0.485727D+00 -0.446330D+01 -0.337073D+00  0.459984D+01
                91            92            93            94            95 
      1   0.402107D+01  0.244305D+01  0.368996D+00 -0.244439D+00  0.579551D+01
      2   0.244305D+01  0.212428D+01  0.105215D+01  0.579551D+01 -0.331417D+01
      3   0.368996D+00  0.105215D+01  0.136357D+01  0.185876D+01  0.139881D+00
                96            97            98            99           100 
      1   0.185876D+01  0.380880D+01  0.179281D+01  0.188800D+01  0.259488D+01
      2   0.139881D+00  0.179281D+01  0.210489D+01  0.198099D+01 -0.161037D+01
      3   0.155895D+01  0.188800D+01  0.198099D+01 -0.408555D+01  0.167548D+01
               101           102           103           104           105 
      1  -0.161037D+01  0.167548D+01 -0.155389D+01 -0.883887D+00 -0.131181D+01
      2   0.862171D-02 -0.869827D+00 -0.883887D+00  0.365094D+01  0.881050D-02
      3  -0.869827D+00  0.381047D+00 -0.131181D+01  0.881050D-02 -0.168190D+01
               106           107           108           109           110 
      1   0.274650D+01 -0.250122D+01  0.146259D+01 -0.531299D+01  0.204895D+01
      2  -0.250122D+01  0.165195D+01 -0.263534D+01  0.204895D+01 -0.139899D+01
      3   0.146259D+01 -0.263534D+01  0.288673D+01 -0.352563D+01  0.700802D+00
               111           112           113           114           115 
      1  -0.352563D+01  0.302363D+01 -0.233103D+01  0.126033D+01 -0.780624D+01
      2   0.700802D+00 -0.233103D+01  0.242709D+01 -0.220637D+01  0.292736D+01
      3  -0.185087D+01  0.126033D+01 -0.220637D+01  0.203021D+01 -0.326049D+01
               116           117           118           119           120 
      1   0.292736D+01 -0.326049D+01  0.925325D+00 -0.341653D-01  0.125703D+01
      2  -0.424732D+01  0.212108D+01 -0.341653D-01  0.221890D+01  0.412785D+00
      3   0.212108D+01 -0.745387D+01  0.125703D+01  0.412785D+00  0.254322D+00
               121           122           123           124           125 
      1   0.199785D-01  0.222774D+01  0.134712D+00  0.342743D+01 -0.124311D+01
      2   0.222774D+01 -0.589829D+01  0.835452D+00 -0.124311D+01  0.296979D+01
      3   0.134712D+00  0.835452D+00  0.256380D+00 -0.103399D+01  0.262927D+01
               126           127           128           129           130 
      1  -0.103399D+01  0.195318D+01  0.612239D+00 -0.197353D+01  0.283737D+00
      2   0.262927D+01  0.612239D+00  0.285236D+00 -0.424889D+00  0.135062D+00
      3   0.462765D+01 -0.197353D+01 -0.424889D+00  0.211945D+01 -0.651115D+00
               131           132           133           134           135 
      1   0.135062D+00 -0.651115D+00 -0.226140D+01 -0.880215D+00  0.262401D+01
      2   0.388789D+00 -0.581843D+00 -0.880215D+00 -0.118939D+01  0.169985D+01
      3  -0.581843D+00  0.219456D+01  0.262401D+01  0.169985D+01 -0.702598D+01
               136           137           138           139           140 
      1  -0.373316D+01  0.990389D+00 -0.183952D+01  0.152414D+01 -0.574177D+00
      2   0.990389D+00 -0.723806D+00  0.583956D+00 -0.574177D+00  0.574435D+00
      3  -0.183952D+01  0.583956D+00 -0.177997D+01  0.110994D+01 -0.593769D+00
               141           142           143           144           145 
      1   0.110994D+01 -0.246076D+01  0.927294D+00 -0.249381D+01 -0.206099D+01
      2  -0.593769D+00  0.927294D+00 -0.120254D+01  0.141579D+01 -0.659955D+00
      3   0.172239D+01 -0.249381D+01  0.141579D+01 -0.441593D+01  0.208515D+01
               146           147           148           149           150 
      1  -0.659955D+00  0.208515D+01 -0.464312D+00 -0.156943D+00  0.706997D+00
      2  -0.355530D+00  0.658307D+00 -0.156943D+00 -0.565227D+00  0.786416D+00
      3   0.658307D+00 -0.224281D+01  0.706997D+00  0.786416D+00 -0.232955D+01
               151           152           153           154           155 
      1   0.207243D+01  0.104274D+01 -0.270069D+01  0.363792D+01 -0.114543D+01
      2   0.104274D+01  0.157304D+01 -0.239770D+01 -0.114543D+01  0.917093D+00
      3  -0.270069D+01 -0.239770D+01  0.733062D+01  0.251239D+01 -0.112388D+01
               156           157           158           159           160 
      1   0.251239D+01 -0.185453D+01  0.719055D+00 -0.139133D+01  0.265979D+01
      2  -0.112388D+01  0.719055D+00 -0.806604D+00  0.890860D+00 -0.125961D+01
      3   0.230842D+01 -0.139133D+01  0.890860D+00 -0.205929D+01  0.288426D+01
               161           162           163           164           165 
      1  -0.125961D+01  0.288426D+01  0.112016D+01 -0.252353D-01 -0.144055D+01
      2   0.162904D+01 -0.211554D+01 -0.252353D-01  0.717334D+00  0.284572D+00
      3  -0.211554D+01  0.497676D+01 -0.144055D+01  0.284572D+00  0.134822D+01
               166           167           168           169           170 
      1   0.166396D+01  0.114399D+01 -0.920188D-01 -0.366135D+01  0.122073D+00
      2   0.114399D+01 -0.347522D+00 -0.639603D+00  0.122073D+00 -0.115348D+01
      3  -0.920188D-01 -0.639603D+00  0.179410D+00  0.238233D+01 -0.116044D+01
               171           172           173           174           175 
      1   0.238233D+01  0.405927D+01 -0.182845D+01  0.620871D+00 -0.418458D+01
      2  -0.116044D+01 -0.182845D+01  0.230037D+01 -0.509399D-01  0.338408D+01
      3  -0.617665D+01  0.620871D+00 -0.509399D-01  0.366646D+00 -0.190786D+00
               176           177           178           179           180 
      1   0.338408D+01 -0.190786D+00  0.473581D+01 -0.419566D+00  0.101780D+01
      2  -0.650293D+01  0.812885D+00 -0.419566D+00  0.204224D+01 -0.102649D+01
      3   0.812885D+00 -0.759324D+00  0.101780D+01 -0.102649D+01  0.274004D+00
               181           182           183           184           185 
      1  -0.603038D+00 -0.735524D+00  0.120882D+01 -0.153790D+01 -0.815662D+00
      2  -0.735524D+00 -0.798969D+00 -0.508957D-01 -0.815662D+00  0.181706D+00
      3   0.120882D+01 -0.508957D-01 -0.964674D+00  0.959532D-01  0.644764D+00
               186           187           188           189           190 
      1   0.959532D-01  0.221358D+01  0.138098D+00 -0.605093D+00 -0.865938D+01
      2   0.644764D+00  0.138098D+00  0.104400D+01 -0.511164D-01  0.597862D+00
      3  -0.842178D-01 -0.605093D+00 -0.511164D-01  0.709157D+01  0.481477D+00
               191           192           193           194           195 
      1   0.597862D+00  0.481477D+00  0.222676D+00 -0.138896D+01  0.507926D-01
      2  -0.232947D+01  0.781216D-01 -0.138896D+01  0.654947D+00  0.321069D+00
      3   0.781216D-01 -0.669588D+00  0.507926D-01  0.321069D+00  0.404485D+00
               196           197           198           199           200 
      1   0.552442D+00 -0.130906D+00 -0.311258D+00  0.388854D+00  0.619886D+00
      2  -0.130906D+00  0.605667D+00  0.561942D+00  0.619886D+00  0.907960D+00
      3  -0.311258D+00  0.561942D+00 -0.271913D+00 -0.977977D+00 -0.296729D+00
               201           202           203           204           205 
      1  -0.977977D+00  0.298380D+00  0.557184D+00 -0.689978D-01 -0.180548D+01
      2  -0.296729D+00  0.557184D+00  0.771256D+00 -0.656837D+00 -0.550263D+00
      3   0.134306D+01 -0.689978D-01 -0.656837D+00  0.547404D+00  0.146938D+01
               206           207           208           209           210 
      1  -0.550263D+00  0.146938D+01  0.237440D+01  0.262765D+01  0.934105D+00
      2  -0.200292D+01  0.191252D+01  0.262765D+01  0.341370D+01  0.758668D+00
      3   0.191252D+01 -0.663342D+01  0.934105D+00  0.758668D+00  0.990488D+00
               211           212           213           214           215 
      1   0.236739D+01  0.326582D+01  0.862595D+00  0.189449D+01  0.153446D+01
      2   0.326582D+01  0.667948D+01  0.190531D+01  0.153446D+01  0.344158D+01
      3   0.862595D+00  0.190531D+01  0.136239D+01  0.125346D+01  0.183887D+01
               216           217           218           219           220 
      1   0.125346D+01  0.183003D+01  0.136044D+00 -0.145942D+01  0.426370D+00
      2   0.183887D+01  0.136044D+00  0.612220D+00  0.611760D-01  0.111268D+01
      3   0.110155D+01 -0.145942D+01  0.611760D-01  0.162419D+01 -0.187955D-01
               221           222           223           224           225 
      1   0.111268D+01 -0.187955D-01 -0.446498D+01  0.106290D+00  0.334891D+01
      2  -0.156035D+00 -0.410986D+00  0.106290D+00 -0.982518D+00 -0.244707D-01
      3  -0.410986D+00  0.150073D+00  0.334891D+01 -0.244707D-01 -0.608704D+01
               226           227           228           229           230 
      1   0.181168D+01 -0.163003D+01  0.818406D+00 -0.396554D+01  0.334783D+01
      2  -0.163003D+01  0.174080D+01 -0.501641D+00  0.334783D+01 -0.579924D+01
      3   0.818406D+00 -0.501641D+00  0.829159D+00 -0.103210D+01  0.194191D+01
               231           232           233           234           235 
      1  -0.103210D+01  0.194951D+01 -0.937945D+00  0.158296D+01  0.478910D+01
      2   0.194191D+01 -0.937945D+00  0.218562D+01 -0.126746D+01  0.242674D+01
      3  -0.156180D+01  0.158296D+01 -0.126746D+01  0.105441D+01  0.172632D+01
               236           237           238           239           240 
      1   0.242674D+01  0.172632D+01  0.565432D+01  0.350989D+01  0.161884D+01
      2   0.197112D+01  0.919336D+00  0.350989D+01  0.339403D+01  0.177662D+01
      3   0.919336D+00  0.138872D+01  0.161884D+01  0.177662D+01  0.163454D+01
               241           242           243           244           245 
      1   0.371676D+01  0.149512D+01  0.244407D+01  0.403207D+00 -0.817229D+00
      2   0.149512D+01  0.199163D+01  0.131874D+01 -0.817229D+00 -0.493695D+00
      3   0.244407D+01  0.131874D+01  0.158368D+01  0.134083D+01  0.682707D-01
               246           247           248           249           250 
      1   0.134083D+01 -0.121893D+01 -0.101551D+01  0.176908D+00  0.263532D+01
      2   0.682707D-01 -0.101551D+01 -0.624427D+00  0.106406D+01  0.231920D+00
      3  -0.110916D+01  0.176908D+00  0.106406D+01 -0.123070D+01 -0.192527D+01
               251           252           253           254           255 
      1   0.231920D+00 -0.192527D+01  0.819758D+01 -0.235159D+00 -0.175936D+01
      2   0.146663D+01 -0.108967D+01 -0.235159D+00 -0.361265D+01 -0.809855D+00
      3  -0.108967D+01  0.595328D+01 -0.175936D+01 -0.809855D+00 -0.114354D+01
               256           257           258           259           260 
      1  -0.457214D+01 -0.394594D+01 -0.127970D+01 -0.621832D+01 -0.160245D+01
      2  -0.394594D+01  0.343626D+01 -0.146891D+01 -0.160245D+01 -0.264371D+01
      3  -0.127970D+01 -0.146891D+01 -0.189195D+01 -0.162959D+01 -0.147076D+01
               261           262           263           264           265 
      1  -0.162959D+01 -0.113992D+01  0.157873D+01  0.514442D+00  0.178682D+01
      2  -0.147076D+01  0.157873D+01 -0.216256D+01 -0.498307D+00 -0.304548D+01
      3   0.365332D+01  0.514442D+00 -0.498307D+00 -0.450455D+00 -0.588217D+00
               266           267           268           269           270 
      1  -0.304548D+01 -0.588217D+00 -0.296177D+00  0.584064D+00 -0.229318D+00
      2   0.954964D+01  0.180941D+01  0.584064D+00 -0.146807D+01  0.547888D+00
      3   0.180941D+01  0.165899D+01 -0.229318D+00  0.547888D+00  0.438023D+00
               271           272           273           274           275 
      1  -0.150574D+02 -0.224424D+01  0.174605D+00  0.270703D+00 -0.103888D+01
      2  -0.224424D+01 -0.150771D+01 -0.148324D+00 -0.103888D+01 -0.580275D+00
      3   0.174605D+00 -0.148324D+00 -0.106241D+01  0.928048D-01  0.202468D+00
               276           277           278           279           280 
      1   0.928048D-01  0.223550D+01  0.489777D+00 -0.114377D+01  0.544497D-01
      2   0.202468D+00  0.489777D+00  0.643347D+00 -0.527010D-01 -0.788575D+00
      3   0.226152D+00 -0.114377D+01 -0.527010D-01  0.323767D-01  0.307955D+00
               281           282           283           284           285 
      1  -0.788575D+00  0.307955D+00 -0.152297D+01 -0.664714D-01 -0.332469D-01
      2   0.226635D+01  0.216915D+00 -0.664714D-01 -0.830821D+01  0.492829D-01
      3   0.216915D+00  0.439770D+00 -0.332469D-01  0.492829D-01 -0.914482D+00
               286           287           288           289           290 
      1   0.991618D+00  0.310159D+00  0.794342D-01 -0.361809D+00  0.269672D+00
      2   0.310159D+00  0.132831D+01 -0.721852D+00  0.269672D+00  0.489587D+00
      3   0.794342D-01 -0.721852D+00 -0.852106D-01 -0.534218D+00  0.212162D+00
               291           292           293           294           295 
      1  -0.534218D+00  0.115692D+01  0.374368D+00  0.187827D+00 -0.198075D+01
      2   0.212162D+00  0.374368D+00  0.221955D+00 -0.366636D+00 -0.354295D+00
      3   0.351748D+00  0.187827D+00 -0.366636D+00  0.717684D+00 -0.701466D+00
               296           297 
      1  -0.354295D+00 -0.701466D+00
      2  -0.138629D+01 -0.268346D+00
      3  -0.268346D+00 -0.620227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146049D+01 -0.226439D+01  0.140190D+01 -0.677175D+01 -0.237471D+01
      2   0.324089D+01 -0.224216D+01  0.961123D+01 -0.240580D+01  0.163318D+01
      3   0.165288D+02 -0.156414D+01  0.288311D+01  0.802545D+01 -0.157862D+01
                 6             7             8             9            10 
      1  -0.213766D+01 -0.144362D+01  0.214730D+01 -0.138214D+00 -0.126979D+01
      2  -0.337998D+01 -0.451992D+01 -0.122211D+01  0.258610D+01 -0.491963D-01
      3   0.231024D+01  0.139668D+02  0.495790D+00  0.289623D+01 -0.293110D+02
                11            12            13            14            15 
      1   0.108749D+00  0.169048D+01  0.213498D+01  0.434060D+01 -0.857283D+01
      2   0.695874D+00 -0.394811D+01  0.501002D+01  0.213127D+00  0.856098D+00
      3  -0.920589D+00  0.508841D+00  0.110389D+02 -0.151067D+01 -0.461916D+00
                16            17            18            19            20 
      1  -0.323486D+01 -0.201045D+01 -0.501793D+01 -0.502395D+00  0.169572D+01
      2  -0.249561D+02 -0.169233D+01 -0.311730D+01 -0.422856D+01 -0.197436D+01
      3  -0.132024D+01 -0.151540D+01 -0.145945D+01 -0.100361D+02 -0.164098D+01
                21            22            23            24            25 
      1  -0.141716D+01  0.568100D+01 -0.187272D+01 -0.339706D+01  0.477167D+01
      2   0.276023D+01 -0.412416D+01 -0.198285D+01  0.109968D+01 -0.107890D+01
      3   0.239843D+01  0.794497D+01  0.144508D+01 -0.274293D+01  0.165552D+02
                26            27            28            29            30 
      1   0.191033D+01 -0.161666D+01  0.135778D+01  0.507722D+00 -0.274425D+01
      2   0.862683D+00 -0.119595D+01  0.883821D+00  0.217457D+01 -0.358597D+01
      3  -0.108348D+01 -0.439711D+01  0.255673D+02  0.926721D+00 -0.258468D+01
                31            32            33            34            35 
      1  -0.152020D+01  0.461157D+01 -0.878528D+01 -0.496911D+01 -0.145650D+01
      2   0.460288D+01  0.136533D+00  0.241733D+01 -0.259687D+02  0.298770D+01
      3   0.907329D+01  0.511282D+01  0.838862D+00 -0.595695D+01 -0.181396D+01
                36            37            38            39            40 
      1  -0.349567D+01 -0.197811D+01 -0.105290D+01 -0.147104D+01 -0.570915D+01
      2  -0.187343D+01  0.673624D+00 -0.257145D+01  0.870593D+01 -0.309606D+01
      3   0.201463D+01 -0.130130D+02 -0.553158D+00  0.290707D+01  0.139391D+02
                41            42            43            44            45 
      1   0.115476D+01  0.814027D+00 -0.198511D+01  0.380361D+01  0.273777D+01
      2   0.161263D+01 -0.217140D+01 -0.704216D+01 -0.938912D+00  0.246717D+01
      3  -0.795869D+00  0.239164D+01 -0.990467D+01  0.339744D+01  0.153893D+01
                46            47            48            49            50 
      1   0.111980D+01  0.163317D+01  0.292949D+01  0.839013D+01  0.120586D+01
      2  -0.245385D+01 -0.203810D+01  0.339652D+01 -0.382909D+01 -0.180648D+01
      3   0.124845D+02 -0.197432D+01 -0.505597D+00  0.136817D+02  0.150421D+01
                51            52            53            54            55 
      1  -0.255971D+01  0.267985D+01  0.360555D+01  0.733751D+00 -0.155017D+01
      2   0.106733D+01 -0.180513D+01  0.145801D+01 -0.157039D+01 -0.412446D+01
      3  -0.435910D+01 -0.104401D+02 -0.154542D+01 -0.136268D+01  0.157491D+02
                56            57            58            59            60 
      1  -0.101638D+00 -0.521577D+00 -0.248399D+00 -0.535058D+01 -0.883469D+00
      2   0.231682D+00 -0.794812D+00 -0.182517D+01 -0.104124D+02  0.108586D+01
      3   0.100290D+02  0.686768D+00  0.347708D+02 -0.693823D+00  0.612831D+01
                61            62            63            64            65 
      1  -0.265988D-01  0.390832D+01  0.453788D+01  0.198587D+01  0.102808D+01
      2  -0.204553D+02  0.276752D+00  0.202894D+02  0.479995D+01  0.157718D+01
      3   0.947948D+01  0.111743D+02  0.174084D+01 -0.201576D+02 -0.198095D+02
                66            67            68            69            70 
      1  -0.159570D+01 -0.514719D+00 -0.177244D+01 -0.185884D+01  0.441882D+00
      2   0.124103D+02  0.471211D+01  0.104688D+02  0.468361D+00  0.118720D+02
      3  -0.182608D+01 -0.251220D+02  0.720121D+01 -0.887883D+01 -0.100472D+02
                71            72            73            74            75 
      1   0.455448D+01  0.410618D+01  0.228091D+01  0.220056D+01  0.469908D+01
      2   0.333558D+01 -0.326926D+02 -0.139749D+01 -0.409442D+01 -0.487871D+01
      3  -0.133540D+02 -0.259250D+01  0.253585D+02  0.378942D+01  0.602079D+00
                76            77            78            79            80 
      1   0.292713D+01  0.905875D+01  0.181565D+01  0.647821D+01  0.800424D+01
      2  -0.510234D+01 -0.106505D+02 -0.394020D+01 -0.114761D+02 -0.666249D+01
      3   0.982684D+01 -0.786128D+01  0.849537D+01  0.109648D+01  0.118925D+02
                81            82            83            84            85 
      1  -0.114513D+02 -0.384144D+00 -0.253110D+00  0.242600D+00 -0.884625D-01
      2   0.181173D+02 -0.627445D+01 -0.251794D+01 -0.146547D+02 -0.392952D+01
      3   0.299600D+01  0.970170D+01  0.180299D+02  0.308265D+01  0.359646D+02
                86            87            88            89            90 
      1   0.111770D+01 -0.213468D+01  0.578230D+00  0.893666D+00 -0.108353D+01
      2  -0.208295D+02 -0.115558D+01 -0.295355D+02 -0.159761D+01  0.268441D+02
      3  -0.138263D+02  0.215277D+02  0.472656D+01  0.214569D+02  0.204159D+01
                91            92            93            94            95 
      1   0.803827D+00  0.581294D+00  0.210285D+01  0.213281D+01 -0.159660D+01
      2  -0.390335D+01 -0.381771D+01 -0.612285D+00 -0.407378D+01 -0.340308D+01
      3  -0.174419D+01  0.130714D+01  0.331977D+01  0.322237D+02 -0.155656D+02
                96            97            98            99           100 
      1  -0.308518D+01  0.289468D+01  0.513222D+01 -0.124509D+01 -0.800954D+00
      2  -0.708378D+01 -0.156807D+02 -0.691390D+01  0.148015D+02  0.130946D+01
      3  -0.596914D+00  0.229519D+01  0.508793D+01  0.531052D+01  0.124208D+02
               101           102           103           104           105 
      1  -0.541878D+01 -0.516127D+01 -0.323094D+00 -0.124690D+00  0.217860D+01
      2   0.351117D+01  0.475813D+01  0.212342D+01  0.172343D+01  0.132157D+02
      3  -0.139045D+02 -0.508053D+01 -0.707720D+01  0.354932D+01  0.232336D+01
               106           107           108           109           110 
      1  -0.672074D+01  0.340336D+00 -0.362931D+01  0.404133D+01  0.287615D+01
      2  -0.453914D+01  0.106637D+02 -0.169932D+02  0.968427D+01 -0.265358D+01
      3  -0.102801D+02  0.121678D+02 -0.720919D+01 -0.608138D+00 -0.451864D+01
               111           112           113           114           115 
      1   0.391960D+01 -0.407837D+00  0.293591D+00 -0.651136D+01  0.386254D+01
      2   0.894683D+01 -0.903115D+00  0.760503D+01 -0.105997D+02  0.494335D+01
      3   0.711868D+00 -0.440996D+01  0.115689D+02 -0.784181D+01  0.110601D+02
               116           117           118           119           120 
      1   0.502591D+01  0.111230D+02 -0.358024D+01  0.263989D+01  0.104694D+00
      2  -0.686236D+01  0.305237D+02 -0.563170D+01 -0.911166D+00  0.747331D-01
      3  -0.185387D+02  0.615199D+01 -0.119884D+01  0.702379D+01  0.408341D+01
               121           122           123           124           125 
      1   0.122867D+01 -0.557088D+01 -0.284096D+01 -0.198183D+01  0.697721D+01
      2  -0.231539D+01 -0.478436D+01 -0.206459D+01 -0.158590D+01 -0.779000D+01
      3   0.817214D+01 -0.151733D+02  0.314971D+01 -0.198099D+01  0.937803D+01
               126           127           128           129           130 
      1  -0.701718D+01 -0.177961D+01 -0.193542D+01  0.937038D+00 -0.223387D+00
      2  -0.154886D+02  0.431148D+01  0.882374D+00 -0.923496D+00  0.489114D+00
      3   0.861491D+01 -0.186233D+00 -0.980431D+00  0.815301D+00  0.106734D+01
               131           132           133           134           135 
      1  -0.126098D+01 -0.286364D+00  0.266547D+01  0.530754D+01 -0.461585D+01
      2  -0.493004D-01  0.618125D+00 -0.473952D+01 -0.353363D+00 -0.173147D+01
      3  -0.439598D+00  0.401763D+00  0.815276D+00  0.215031D+01 -0.153078D+01
               136           137           138           139           140 
      1  -0.212928D+01  0.292362D+01 -0.684288D+00  0.111845D+01 -0.122455D+01
      2  -0.806013D+01  0.149344D+01 -0.786297D+00  0.171262D+01 -0.594553D+00
      3   0.395239D+00 -0.162572D+01  0.758332D+00  0.571537D+00  0.116522D+01
               141           142           143           144           145 
      1  -0.639993D+00 -0.193726D+01  0.402305D+01 -0.251461D+01  0.170546D+01
      2   0.180284D-01 -0.432713D+01  0.517954D+00  0.103085D+01  0.416427D+01
      3  -0.412683D+00  0.669336D+00 -0.259386D+01  0.165835D+01  0.267838D+01
               146           147           148           149           150 
      1  -0.937223D+00 -0.221908D+01  0.972053D+00 -0.215102D-02 -0.355441D+01
      2   0.440539D+00 -0.865527D+00  0.477799D+00 -0.166931D+00  0.622941D+00
      3  -0.112714D+00 -0.198359D+01  0.171100D+01 -0.374091D+00 -0.504460D+00
               151           152           153           154           155 
      1  -0.159953D+01  0.241346D+01  0.525569D+01  0.233013D+01  0.132703D+01
      2  -0.444314D+01 -0.276255D+00 -0.123234D+01 -0.534999D+01  0.259823D+00
      3  -0.228203D+01  0.916096D+00  0.178289D+01 -0.493470D+01 -0.838278D+00
               156           157           158           159           160 
      1   0.216872D+01 -0.134064D+01  0.154073D+00 -0.369337D+01  0.226084D+01
      2  -0.227217D+00  0.115287D+01  0.167292D+00 -0.921521D+00 -0.305929D+01
      3  -0.217383D+01  0.388835D+01  0.683609D+00  0.848983D+00 -0.288991D+01
               161           162           163           164           165 
      1   0.157112D+01  0.394075D+01 -0.131410D+01 -0.676082D+00  0.108018D+01
      2  -0.153862D+00  0.203061D+01 -0.492602D+01  0.638273D+00  0.539739D+01
      3  -0.131191D+01 -0.180560D+01 -0.171777D+01 -0.348347D+01  0.556189D+00
               166           167           168           169           170 
      1   0.109240D-01 -0.348389D+00 -0.913274D+00  0.219517D+01  0.228053D+01
      2   0.500706D+00 -0.104531D+01  0.946228D+00  0.209947D+01 -0.382446D+01
      3  -0.318704D+01  0.104216D+00  0.159788D+01  0.307444D+01  0.411760D+01
               171           172           173           174           175 
      1  -0.622721D+01  0.101015D+01 -0.984105D+00  0.138707D+01 -0.161154D+01
      2  -0.202422D+02  0.474392D+01 -0.137960D+01  0.321873D+01 -0.256135D+01
      3   0.322216D+00  0.124818D+01 -0.716102D+01 -0.274124D+00 -0.374847D+01
               176           177           178           179           180 
      1   0.349087D+01 -0.345144D+01  0.146940D+01 -0.115264D+01  0.108701D+01
      2   0.554158D+01 -0.361487D+01  0.328892D+01 -0.389144D+01  0.812404D+00
      3   0.177764D+02 -0.193226D+01 -0.332773D+01 -0.668726D+01  0.183053D+01
               181           182           183           184           185 
      1  -0.223548D+01 -0.141582D+01  0.804480D+00 -0.924350D+00 -0.366626D+00
      2   0.746414D+01  0.682707D+00 -0.437652D+01  0.195033D+01  0.333912D+01
      3   0.247183D+01  0.243353D+01  0.358700D+00  0.508542D+01 -0.718214D+00
               186           187           188           189           190 
      1  -0.628968D+00  0.141221D+01  0.350351D+01 -0.383576D+01  0.339679D+00
      2  -0.878129D+00 -0.829959D+01 -0.977731D+00  0.291334D+02 -0.148288D+01
      3  -0.252176D+01 -0.102395D-01 -0.363547D+01 -0.156856D+00 -0.258616D+02
               191           192           193           194           195 
      1   0.579208D+00  0.230578D+01  0.288543D+00 -0.687054D+00 -0.119129D+01
      2   0.328274D+00 -0.255858D+00  0.258968D+00  0.693530D+00  0.279657D+00
      3   0.639268D+01  0.814398D+00  0.667402D+01 -0.385342D+01 -0.116604D+01
               196           197           198           199           200 
      1   0.218430D+01  0.504988D+00  0.654191D+00  0.205798D+01 -0.111939D+00
      2  -0.335369D+01  0.115971D+01 -0.985443D+00 -0.311221D+01 -0.109084D+01
      3   0.110919D+01 -0.222770D+01 -0.273960D+01 -0.228363D+01 -0.325256D+01
               201           202           203           204           205 
      1  -0.284359D+01  0.210057D+00  0.106063D+01 -0.228522D+01 -0.282936D+01
      2   0.493569D+01 -0.189404D+00 -0.186066D+01  0.127580D+01  0.684994D+00
      3  -0.282938D+00 -0.338555D+00 -0.149491D+01  0.185191D+01 -0.217201D+01
               206           207           208           209           210 
      1  -0.108938D+00  0.147971D+02 -0.266142D+01 -0.220801D+01 -0.392420D+01
      2   0.606873D+01 -0.222752D+02  0.348286D+01  0.318909D+01  0.481621D+01
      3   0.708060D+01 -0.499011D+01 -0.444416D+01 -0.926370D+01 -0.803059D+00
               211           212           213           214           215 
      1  -0.329446D+01 -0.540969D+01 -0.587995D+01 -0.338388D+01 -0.326406D+01
      2   0.310046D+01  0.733395D+01  0.595625D+01  0.346150D+01  0.668749D+01
      3  -0.322036D+01 -0.184624D+02 -0.483074D+01 -0.833342D+00 -0.102108D+02
               216           217           218           219           220 
      1  -0.345314D+01  0.247337D+00 -0.433349D+00 -0.417718D-01  0.131771D+00
      2   0.424127D+01 -0.866667D+01  0.248293D+00  0.107556D+02 -0.106570D+00
      3  -0.435933D+01 -0.668288D+00 -0.440010D+01 -0.350321D+00 -0.454268D+01
               221           222           223           224           225 
      1   0.249859D-01 -0.878855D+00 -0.590039D+00  0.261541D+01  0.930803D+00
      2  -0.217027D+01  0.757689D+00  0.155899D+02 -0.748043D-01 -0.357519D+02
      3   0.903866D+00  0.186827D+01 -0.743172D+00  0.641827D+01 -0.166665D+00
               226           227           228           229           230 
      1  -0.660954D+00  0.697174D+00  0.476688D+00  0.831267D+00 -0.243912D+01
      2   0.410847D+01 -0.239983D+01  0.525353D+01 -0.390703D+01  0.103798D+02
      3   0.874885D+01 -0.108951D+02  0.286475D+01 -0.147323D+02  0.330139D+02
               231           232           233           234           235 
      1  -0.175365D+01 -0.267351D+00  0.181433D+01  0.221925D+00  0.278947D+00
      2  -0.973284D+01  0.651639D+01 -0.682670D+01  0.542136D+01  0.794892D+01
      3  -0.108348D+02  0.437515D+01 -0.126845D+02  0.665901D+01 -0.120313D+02
               236           237           238           239           240 
      1   0.831358D+00 -0.954944D+00  0.286418D+00  0.119643D+01 -0.163911D+01
      2   0.442060D+01  0.946344D+01  0.678110D+01  0.915315D+01  0.100265D+02
      3  -0.130173D+02 -0.500970D+01 -0.162386D+02 -0.197451D+02 -0.983404D+01
               241           242           243           244           245 
      1  -0.565249D+00  0.152282D+01 -0.713837D+00  0.346513D+00 -0.394810D+00
      2   0.109702D+02  0.692572D+01  0.845792D+01 -0.576343D+01  0.714713D-01
      3  -0.704665D+01 -0.119929D+02 -0.700547D+01 -0.276638D+01 -0.190284D+01
               246           247           248           249           250 
      1  -0.847059D+00 -0.879168D-01  0.614700D-01 -0.959249D+00 -0.123388D+01
      2   0.379861D+01  0.292310D+00 -0.266853D+01  0.427429D+01  0.119764D+01
      3  -0.526610D+00 -0.867179D+00 -0.123194D+01  0.283646D+01 -0.117104D+01
               251           252           253           254           255 
      1   0.274647D+01  0.320724D+01 -0.235079D+01  0.101975D+01 -0.244592D+01
      2   0.366961D+01 -0.187444D+02  0.148324D+02  0.405194D+01  0.672005D+01
      3   0.396116D+01 -0.225620D+01 -0.157566D+02 -0.163747D+02 -0.249650D+00
               256           257           258           259           260 
      1  -0.151404D+01 -0.630406D+01 -0.378526D+01 -0.104848D+01  0.100980D+01
      2   0.529418D+01  0.532879D+01  0.647267D+01  0.500536D+01  0.558674D+01
      3  -0.820026D+01  0.202336D+02 -0.421906D+01  0.759117D+00 -0.704210D+01
               261           262           263           264           265 
      1   0.895750D+01  0.102317D+01 -0.157787D+01  0.693419D+00 -0.287661D+01
      2  -0.181746D+02 -0.649490D+00  0.339900D+00  0.125632D+01  0.843338D-01
      3  -0.466449D+01  0.335085D+01 -0.516758D+01 -0.183080D+01 -0.512252D+01
               266           267           268           269           270 
      1   0.908806D+01 -0.207128D+01  0.490844D+00 -0.109584D+01  0.110396D+01
      2  -0.342818D+01 -0.531844D+01  0.387095D+00 -0.177247D+01 -0.866355D+00
      3   0.293562D+02  0.562322D+01  0.157844D+01 -0.515327D+01  0.160609D+01
               271           272           273           274           275 
      1   0.118387D+01  0.597233D+00 -0.237316D+01  0.829562D+00  0.691995D+00
      2  -0.777528D+01 -0.280268D+00  0.809340D+01 -0.846088D+00 -0.135979D+01
      3   0.144377D+02 -0.611932D+01 -0.109957D+01 -0.318838D+01 -0.904475D+00
               276           277           278           279           280 
      1  -0.237124D+00 -0.199123D+01  0.585955D+00 -0.107423D+00  0.139554D+01
      2  -0.456051D+00  0.428501D+01 -0.399201D-01 -0.204895D+00 -0.105513D+01
      3   0.831847D+00 -0.142038D+01  0.197091D+01  0.166946D+01 -0.501334D+01
               281           282           283           284           285 
      1  -0.873878D+00  0.174413D+01 -0.457369D+00  0.508985D+01 -0.425111D+01
      2  -0.993311D+00 -0.135955D+01 -0.818607D+00 -0.476147D-01  0.307118D+01
      3   0.890205D+01 -0.188262D+00  0.572831D+01 -0.307389D+02  0.718148D+00
               286           287           288           289           290 
      1   0.711814D+00 -0.103350D+01  0.481702D+00 -0.177135D+01 -0.607385D+00
      2  -0.163691D+01  0.239576D+01  0.442454D+00  0.427466D+01 -0.295687D-01
      3  -0.123725D+01  0.434841D+01 -0.277040D+01  0.141104D+01  0.103733D+01
               291           292           293           294           295 
      1   0.556813D+00 -0.278681D+00 -0.217884D+01  0.982492D+00 -0.108785D+00
      2  -0.202771D+01  0.149026D+01  0.193045D+01 -0.321269D+01 -0.219642D+01
      3   0.117088D+01  0.100552D+01  0.529304D+00 -0.158373D+01  0.150337D+01
               296           297 
      1   0.352877D+01 -0.114670D+02
      2   0.952442D-01  0.249180D+02
      3  -0.462338D+01  0.632264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250058D+01 -0.843478D+01  0.228511D+02  0.169042D+02 -0.339803D+01
      2   0.686301D+01  0.351216D+01 -0.835625D+01 -0.433917D+01  0.446182D+01
      3  -0.436243D+01  0.492262D+01 -0.144948D+02 -0.125650D+02 -0.106378D+01
      4  -0.142465D+01  0.238063D+01 -0.395133D-01  0.864050D+01  0.458997D+01
      5   0.199636D+02  0.912829D+00 -0.732817D+01 -0.526863D+01 -0.255153D+01
      6  -0.380476D+00 -0.313455D+01  0.432336D+00 -0.402106D+00  0.357517D+01
                 6             7             8             9            10 
      1  -0.167037D+02 -0.248421D+02 -0.974868D+01  0.389587D+01  0.495163D+02
      2   0.131732D+01  0.415396D+01  0.151890D+01  0.389118D+01 -0.191690D+02
      3   0.153864D+02  0.206882D+02  0.822978D+01 -0.778704D+01 -0.303472D+02
      4  -0.407408D+01  0.377820D+01 -0.241850D+01 -0.488211D+01 -0.120038D+02
      5  -0.350401D+01  0.942348D+01 -0.433346D+01  0.585208D+01 -0.538055D+01
      6   0.122601D+02 -0.713646D+01  0.610327D+01  0.152004D+02  0.226996D+01
                11            12            13            14            15 
      1   0.769122D+01 -0.788284D+00  0.100103D+02 -0.697083D+00  0.624259D+01
      2  -0.675881D+01  0.283519D+01 -0.100040D+02  0.645618D+01 -0.104840D+01
      3  -0.932417D+00 -0.204690D+01 -0.629309D-02 -0.575909D+01 -0.519419D+01
      4   0.144808D+01 -0.345316D+01  0.175655D+02 -0.558458D+01 -0.993627D+00
      5  -0.404937D+01  0.657019D+01  0.110427D+02 -0.881925D+00 -0.199690D+01
      6   0.163526D+00 -0.672221D+01 -0.528140D+01  0.444350D+01  0.877418D+01
                16            17            18            19            20 
      1  -0.871426D+01  0.660269D+01 -0.182559D+02 -0.112893D+01  0.546053D+01
      2  -0.112596D+01  0.526574D+01  0.175453D+01 -0.193928D+01 -0.220283D+01
      3   0.984022D+01 -0.118684D+02  0.165014D+02  0.306821D+01 -0.325771D+01
      4   0.146273D+02  0.910066D+00 -0.183670D+01  0.364702D+01  0.200147D-02
      5  -0.148268D+02 -0.170351D+01 -0.474170D+01 -0.168854D+02  0.246155D+01
      6  -0.426094D+01  0.628455D+00 -0.541669D+01  0.305456D+01  0.508579D+01
                21            22            23            24            25 
      1  -0.275487D+02 -0.100613D+02 -0.538018D+01 -0.612674D+01  0.248031D+02
      2   0.724217D+01 -0.145365D+01  0.653257D+01 -0.163177D+00 -0.144705D+01
      3   0.203065D+02  0.115149D+02 -0.115239D+01  0.628991D+01 -0.233561D+02
      4   0.227266D+01  0.343725D+01 -0.180510D+01  0.383578D+01  0.455924D+01
      5  -0.171222D+01  0.983315D+00  0.214701D+01  0.595248D+01  0.124506D+02
      6   0.543914D+01  0.263371D+01  0.235111D+01  0.809990D+01  0.103163D+02
                26            27            28            29            30 
      1  -0.838260D+01  0.847172D+01  0.163397D+02 -0.904047D+00  0.131855D+01
      2   0.125948D+01 -0.266737D+01 -0.320727D+01  0.545231D+01  0.880540D+00
      3   0.712312D+01 -0.580435D+01 -0.131325D+02 -0.454826D+01 -0.219909D+01
      4   0.364617D+01  0.718753D+01  0.241542D+02  0.229605D+01 -0.209267D+01
      5   0.513477D+01 -0.422961D+01  0.234641D+01 -0.143305D+01  0.692695D+01
      6   0.244166D+01  0.106281D+02  0.382170D+01 -0.139073D+01  0.438471D+01
                31            32            33            34            35 
      1   0.166798D+00 -0.177449D+01  0.794689D+01 -0.892239D+01  0.979460D+01
      2   0.634572D+01  0.508853D+01 -0.220504D+01  0.212666D+01  0.342068D+01
      3  -0.651252D+01 -0.331404D+01 -0.574185D+01  0.679573D+01 -0.132153D+02
      4   0.157242D+02  0.399230D+00  0.206727D+01  0.116602D+02  0.533348D+01
      5   0.120763D+02  0.545773D+00  0.147103D+01 -0.177832D+02  0.238062D+01
      6  -0.993843D+00  0.391964D+01  0.611227D+01 -0.156560D+01  0.985619D+00
                36            37            38            39            40 
      1  -0.214000D+02  0.102335D+02 -0.134687D+02  0.257431D+02  0.439519D+01
      2   0.335699D+01  0.214475D-02  0.120654D+02 -0.126202D+02  0.428042D+01
      3   0.180430D+02 -0.102356D+02  0.140333D+01 -0.131229D+02 -0.867561D+01
      4   0.706021D-02 -0.935871D+01 -0.139569D+01  0.439995D+01  0.153649D+02
      5  -0.263756D+01  0.134725D+02  0.217982D+01 -0.919354D+01 -0.244618D+01
      6  -0.749583D+01 -0.431867D+00 -0.608529D+01  0.604516D+01 -0.476066D+00
                41            42            43            44            45 
      1  -0.111346D+02 -0.719580D+01 -0.186907D+02 -0.493797D+01  0.820056D+01
      2   0.171654D+02 -0.106060D+02  0.176224D+01 -0.357957D+01 -0.125428D+01
      3  -0.603084D+01  0.178018D+02  0.169284D+02  0.851755D+01 -0.694627D+01
      4   0.691350D+01 -0.321142D+01 -0.396830D+01 -0.258135D+01 -0.612866D+01
      5  -0.189354D+01 -0.256865D+01  0.753941D+01 -0.580385D+01  0.800801D+01
      6  -0.666553D+01  0.653568D+01 -0.988555D+01  0.150098D+01  0.871040D+01
                46            47            48            49            50 
      1  -0.898322D+01  0.105105D+02 -0.274829D+02 -0.680476D+01 -0.162545D+02
      2   0.265956D+01 -0.927487D+01  0.883328D+01 -0.523590D+01  0.227500D+02
      3   0.632366D+01 -0.123567D+01  0.186496D+02  0.120407D+02 -0.649548D+01
      4   0.927163D+01  0.469655D+00  0.414117D+01  0.591476D+01 -0.650909D+01
      5  -0.139285D+02  0.491012D+01 -0.291207D+01  0.539358D+01  0.209518D+01
      6   0.373865D+01  0.571548D+01 -0.500100D+01 -0.379752D+00 -0.620934D+01
                51            52            53            54            55 
      1   0.273119D+01  0.366462D+02 -0.412241D+01  0.905295D+01 -0.372891D+02
      2  -0.106161D+02 -0.920032D+01 -0.957353D+00 -0.518043D+01  0.124394D+02
      3   0.788492D+01 -0.274458D+02  0.507976D+01 -0.387252D+01  0.248496D+02
      4   0.125173D+01 -0.429801D+01 -0.178980D+00  0.720681D+01  0.104198D+01
      5   0.646283D+01  0.441990D+01  0.647185D+01 -0.588742D+01 -0.344086D+01
      6   0.425225D+01  0.112409D+02 -0.222178D+01  0.767268D+01  0.222090D+01
                56            57            58            59            60 
      1  -0.949552D+01 -0.402067D+01 -0.390682D+02 -0.290402D+02 -0.422955D+01
      2   0.670813D+01 -0.108074D+01  0.274819D+02  0.342016D+01  0.473718D+01
      3   0.278739D+01  0.510141D+01  0.115863D+02  0.256201D+02 -0.507632D+00
      4  -0.244840D+02 -0.189087D+00 -0.495637D+02  0.260780D+02 -0.123096D+02
      5  -0.607733D+00 -0.103537D+02 -0.391277D+01 -0.125586D+02  0.986827D-01
      6   0.632905D+00  0.130212D+01 -0.682674D+00  0.423123D+01  0.252350D-01
                61            62            63            64            65 
      1  -0.297522D+02 -0.749739D+01 -0.700537D+01 -0.546452D+02  0.157771D+02
      2   0.466987D+01  0.693909D+01  0.121103D+02  0.342231D+02 -0.310719D+01
      3   0.250823D+02  0.558298D+00 -0.510492D+01  0.204220D+02 -0.126699D+02
      4  -0.519034D+01 -0.214165D+02  0.674877D+01  0.171714D+02  0.283204D+02
      5  -0.237452D+02  0.413467D+01  0.389217D+02 -0.647789D+00  0.325496D+01
      6   0.371471D+01 -0.158097D+01 -0.669035D+01  0.864819D+00 -0.250971D+01
                66            67            68            69            70 
      1  -0.132482D+01  0.527051D+02  0.496269D+02 -0.590176D+00  0.210343D+02
      2  -0.200493D+01 -0.226878D+02 -0.280967D+02  0.241122D+01 -0.791528D+01
      3   0.332976D+01 -0.300174D+02 -0.215303D+02 -0.182105D+01 -0.131190D+02
      4   0.275164D+01  0.450839D+02 -0.154576D+02  0.160671D+02  0.639644D+01
      5   0.174238D+02  0.720048D+01  0.182077D+02  0.270433D+01  0.344209D+02
      6   0.309212D+01  0.267870D+01  0.500484D+01 -0.101059D+01  0.281940D+01
                71            72            73            74            75 
      1   0.140055D+01  0.334159D+02  0.522624D+02 -0.656476D+01 -0.787521D+01
      2   0.407331D+01 -0.911642D+01 -0.358952D+02 -0.787643D+01 -0.169742D+00
      3  -0.547386D+01 -0.242995D+02 -0.163672D+02  0.144412D+02  0.804495D+01
      4   0.211992D+02  0.502617D+01 -0.377750D+01 -0.300321D+02 -0.832723D+01
      5   0.423459D+01 -0.555317D+02 -0.768618D+01 -0.605193D+01 -0.126108D+02
      6   0.441721D+01 -0.639091D+01 -0.722088D+01 -0.269546D+01 -0.918094D+01
                76            77            78            79            80 
      1  -0.104265D+02 -0.326291D+02  0.337320D+01 -0.128465D+02  0.253632D+01
      2  -0.698142D+01  0.139924D+02 -0.120949D+02 -0.123398D+01 -0.152732D+02
      3   0.174079D+02  0.186366D+02  0.872172D+01  0.140805D+02  0.127369D+02
      4  -0.351554D+02 -0.111950D+02 -0.208962D+02 -0.869161D+01 -0.302543D+02
      5  -0.638289D+01 -0.204907D+02 -0.790644D+01 -0.203752D+02 -0.147258D+02
      6  -0.521630D+01 -0.169976D+02 -0.412019D+01 -0.109553D+02 -0.870074D+01
                81            82            83            84            85 
      1  -0.861631D+01  0.655767D+02 -0.194210D+02 -0.549939D+01 -0.319435D+02
      2   0.839551D+01 -0.351570D+02  0.932419D+01  0.119857D+01  0.153309D+02
      3   0.220805D+00 -0.304197D+02  0.100968D+02  0.430082D+01  0.166126D+02
      4  -0.196104D+02 -0.221238D+02 -0.381979D+02 -0.644062D+01 -0.590910D+02
      5   0.402250D+02 -0.882073D+01 -0.693920D+01 -0.317660D+02 -0.105834D+02
      6   0.201137D+02 -0.167283D+01 -0.466869D+01 -0.197964D+01 -0.911643D+01
                86            87            88            89            90 
      1  -0.523613D+02 -0.657911D+01 -0.157708D+02 -0.636005D+01 -0.435766D+02
      2   0.257624D+02  0.235948D+01  0.370875D+01  0.224647D+01  0.242803D+02
      3   0.265989D+02  0.421962D+01  0.120621D+02  0.411357D+01  0.192963D+02
      4   0.232773D+02 -0.411716D+02 -0.100377D+02 -0.400888D+02 -0.518405D+01
      5  -0.440959D+02 -0.431434D+01 -0.520953D+02 -0.413954D+01  0.508395D+02
      6   0.327292D+00 -0.460756D+01 -0.348693D+01 -0.517488D+01  0.142539D+01
                91            92            93            94            95 
      1   0.121885D+02 -0.361879D+01 -0.122672D+01 -0.111834D+02 -0.177535D+02
      2  -0.938665D+01 -0.265889D+01 -0.124364D+01  0.515505D+01  0.687212D+01
      3  -0.280182D+01  0.627768D+01  0.247036D+01  0.602835D+01  0.108814D+02
      4  -0.194347D+02 -0.173348D+02 -0.835603D+01 -0.419390D+02  0.149950D+02
      5  -0.685956D+01 -0.752833D+01 -0.919774D+01 -0.140024D+02 -0.303928D+01
      6  -0.486169D+01 -0.255936D+01 -0.460314D+01 -0.292607D+01 -0.565931D+01
                96            97            98            99           100 
      1  -0.681511D+01 -0.165613D+02 -0.880101D+01 -0.219774D+01 -0.539992D+01
      2   0.416516D+00  0.395317D-01 -0.190858D+01  0.760481D+01  0.115274D+01
      3   0.639860D+01  0.165218D+02  0.107096D+02 -0.540707D+01  0.424718D+01
      4  -0.286854D+01 -0.198898D+02 -0.154634D+02 -0.166604D+02  0.131650D+02
      5  -0.141188D+02 -0.153590D+02 -0.156078D+02  0.296669D+02 -0.170056D+02
      6  -0.316396D+01 -0.824743D+01 -0.292145D+01  0.831030D+01  0.540366D+01
               101           102           103           104           105 
      1   0.572979D+01 -0.862121D+01  0.189885D+02  0.448717D+01  0.942242D+01
      2  -0.385124D+00  0.586219D+01 -0.143220D+02  0.219346D+01 -0.318433D+01
      3  -0.534466D+01  0.275901D+01 -0.466644D+01 -0.668063D+01 -0.623809D+01
      4  -0.911549D+00  0.750270D+01 -0.181842D+00 -0.174944D+02 -0.251510D+01
      5   0.673915D+01 -0.344584D+01  0.758186D+01 -0.233944D+01  0.247797D+02
      6  -0.525065D+01  0.626216D+01 -0.112311D+01 -0.184238D+01 -0.153070D+02
               106           107           108           109           110 
      1  -0.248270D+02  0.106540D+02 -0.589798D+01  0.437936D+02 -0.130318D+02
      2   0.940984D+01  0.277028D+01  0.340881D+01 -0.211627D+02  0.417061D+01
      3   0.154172D+02 -0.134243D+02  0.248917D+01 -0.226309D+02  0.886122D+01
      4   0.210326D+02 -0.177048D+02  0.226707D+02 -0.245577D+02  0.199052D+02
      5  -0.206097D+02  0.206050D+02 -0.237867D+02  0.320067D+02 -0.656721D+01
      6   0.118080D+02 -0.179441D+02  0.596054D+01 -0.113386D+02  0.408205D+01
               111           112           113           114           115 
      1   0.247580D+02 -0.156570D+02  0.361284D+01 -0.178927D+01  0.411606D+02
      2  -0.146423D+02  0.290764D+01  0.744150D+01 -0.105219D+01 -0.203420D+02
      3  -0.101157D+02  0.127493D+02 -0.110543D+02  0.284146D+01 -0.208186D+02
      4  -0.105247D+02  0.248165D+02 -0.225913D+02  0.180159D+02 -0.249909D+02
      5   0.228671D+02 -0.122109D+02  0.174125D+02 -0.200330D+02  0.363347D+02
      6  -0.762372D+01  0.599322D+01 -0.115115D+02  0.176050D+02 -0.114389D+02
               116           117           118           119           120 
      1  -0.416738D+01  0.112508D+02 -0.283267D+00 -0.925745D+01 -0.127059D+02
      2  -0.393529D+01 -0.151490D+02 -0.342075D+01  0.123555D+02  0.809455D+01
      3   0.810267D+01  0.389816D+01  0.370402D+01 -0.309807D+01  0.461140D+01
      4   0.325983D+02 -0.194756D+02  0.154283D+01 -0.796453D+01  0.318178D+01
      5  -0.178835D+02  0.597317D+02 -0.832621D+01 -0.140991D+01  0.577997D+01
      6   0.164962D+02 -0.273701D+02  0.351391D+01  0.514150D+01  0.103285D+01
               121           122           123           124           125 
      1  -0.405705D+01 -0.657725D+01 -0.560759D+01 -0.130400D+02 -0.790890D+01
      2   0.131657D+02 -0.156895D+02  0.221555D+01  0.705100D+01  0.773244D+01
      3  -0.910865D+01  0.222667D+02  0.339203D+01  0.598902D+01  0.176455D+00
      4  -0.112171D+02  0.436026D+02 -0.339781D+01  0.131212D+02 -0.183139D+02
      5   0.164270D+01 -0.267318D+01 -0.505037D+01  0.172700D+02 -0.179909D+02
      6   0.280099D+01  0.196796D+01  0.106563D+02 -0.643589D+01  0.201644D+02
               126           127           128           129           130 
      1  -0.913941D+01 -0.841254D+00 -0.107720D+00  0.359056D+01 -0.256266D+01
      2  -0.657205D+01 -0.522467D+01 -0.126271D+01  0.556904D+01 -0.512323D+00
      3   0.157115D+02  0.606593D+01  0.137043D+01 -0.915961D+01  0.307499D+01
      4  -0.159796D+02  0.106251D+01  0.245179D+01 -0.780028D+00  0.127430D+01
      5  -0.340624D+02 -0.909336D+01 -0.253713D+01  0.118886D+02 -0.277982D+01
      6   0.228326D+02  0.169635D+00 -0.161965D+01 -0.491317D+00 -0.119257D+01
               131           132           133           134           135 
      1  -0.334294D+01  0.787960D+01  0.374172D+01  0.505354D+01 -0.237828D+02
      2  -0.378121D+00  0.318765D+01  0.665691D+01  0.188176D+01 -0.143448D+02
      3   0.372106D+01 -0.110672D+02 -0.103986D+02 -0.693530D+01  0.381277D+02
      4   0.112270D+01 -0.129856D+01 -0.181314D+01 -0.311647D+01  0.201877D+01
      5  -0.258090D+01  0.420355D+01  0.118520D+02  0.403339D+01 -0.187296D+02
      6  -0.288837D+01  0.193529D+01  0.984501D+00  0.560717D+01 -0.294965D+01
               136           137           138           139           140 
      1   0.457901D+01 -0.817070D-01 -0.187973D+01  0.150764D+00 -0.168155D+01
      2  -0.592398D+01  0.100633D+01 -0.420809D+01  0.215343D+01 -0.314211D+00
      3   0.134497D+01 -0.924618D+00  0.608782D+01 -0.230420D+01  0.199576D+01
      4  -0.252656D+01  0.402042D+01 -0.112143D+01  0.280897D+01 -0.293918D+01
      5   0.111038D+02 -0.288014D+01  0.997561D+01 -0.461736D+01  0.323803D+01
      6  -0.155300D+00  0.169465D+01 -0.973867D+00  0.810738D+00 -0.273445D+01
               141           142           143           144           145 
      1   0.492183D+01 -0.333776D+01  0.396662D+01 -0.122514D+02 -0.266898D+01
      2   0.232335D+01 -0.542406D+01  0.100844D+01 -0.838531D+01 -0.293838D+01
      3  -0.724518D+01  0.876182D+01 -0.497506D+01  0.206368D+02  0.560736D+01
      4   0.137653D+01 -0.213928D+01  0.325049D+01 -0.257362D+01  0.526848D+01
      5  -0.580114D+01  0.124557D+02 -0.444131D+01  0.158419D+02 -0.938162D+01
      6   0.201006D+01 -0.193806D+01  0.486991D+01 -0.359396D+01 -0.573977D+01
               146           147           148           149           150 
      1  -0.176804D+01  0.560619D+01 -0.266419D+01 -0.462299D+01  0.896251D+01
      2   0.192262D+00  0.315452D+01 -0.516032D+00  0.894386D+00  0.818439D+00
      3   0.157578D+01 -0.876070D+01  0.318022D+01  0.372861D+01 -0.978095D+01
      4   0.379224D+01 -0.538215D+01  0.225476D+01  0.179091D+01 -0.276317D+01
      5  -0.350792D+01  0.121913D+02 -0.330088D+01 -0.259772D+01  0.423859D+01
      6  -0.350495D+01  0.628871D+01 -0.289143D+01 -0.516290D+01  0.850287D+01
               151           152           153           154           155 
      1   0.762694D+01  0.108586D+02 -0.294725D+02  0.253819D+01  0.253374D+01
      2   0.226645D+01 -0.283228D+01 -0.594206D+01 -0.324348D+01 -0.223097D+01
      3  -0.989339D+01 -0.802634D+01  0.354145D+02  0.705288D+00 -0.302773D+00
      4  -0.588683D+01 -0.522890D+01  0.803641D+01 -0.106783D+02  0.755507D+01
      5   0.112753D+02  0.541788D+01 -0.180959D+02  0.153687D+02 -0.604716D+01
      6   0.844373D+01  0.127793D+02 -0.233341D+02 -0.886507D+01  0.590631D+01
               156           157           158           159           160 
      1  -0.217574D+01  0.447692D+00 -0.359229D+01  0.549894D+01 -0.405330D+01
      2  -0.223307D+01  0.100319D+01  0.172672D+01  0.299920D+00 -0.248683D+01
      3   0.440881D+01 -0.145088D+01  0.186557D+01 -0.579886D+01  0.654013D+01
      4  -0.833264D+01  0.515361D+01 -0.535162D+01  0.581007D+01 -0.877930D+01
      5   0.139752D+02 -0.704894D+01  0.494765D+01 -0.825255D+01  0.151060D+02
      6  -0.884838D+01  0.542834D+01 -0.595320D+01  0.841575D+01 -0.103044D+02
               161           162           163           164           165 
      1   0.808404D+01 -0.155058D+02  0.784804D+01  0.393587D+00 -0.708180D+01
      2  -0.363472D+01 -0.268092D+01 -0.773658D+01 -0.600664D+00  0.633291D+01
      3  -0.444932D+01  0.181867D+02 -0.111452D+00  0.207077D+00  0.748889D+00
      4   0.737238D+01 -0.106026D+02 -0.171299D+01  0.697545D+01  0.395082D+01
      5  -0.768075D+01  0.199786D+02 -0.132165D+02  0.262242D+01  0.147471D+02
      6   0.116377D+02 -0.180917D+02  0.204534D+01 -0.136905D+01 -0.204438D+01
               166           167           168           169           170 
      1   0.822626D+01  0.174167D+01 -0.176095D+01 -0.147066D+02 -0.297767D+01
      2  -0.524073D+01 -0.471151D+00  0.137442D+01  0.134316D+02  0.481976D+00
      3  -0.298554D+01 -0.127052D+01  0.386537D+00  0.127499D+01  0.249570D+01
      4   0.727385D+01 -0.344757D+01 -0.401359D+01  0.588665D+01 -0.858396D+01
      5  -0.937441D+00 -0.433317D+01  0.198808D+01  0.221363D+02 -0.810435D+01
      6  -0.140614D+01  0.116980D+01  0.501365D+01 -0.507844D+01  0.650787D+01
               171           172           173           174           175 
      1  -0.545971D+01  0.206322D+02 -0.864046D+01  0.376440D+01 -0.149580D+02
      2  -0.136627D+02 -0.397680D+01 -0.503278D+00 -0.887690D+00 -0.241973D+01
      3   0.191225D+02 -0.166554D+02  0.914374D+01 -0.287671D+01  0.173777D+02
      4  -0.108930D+02 -0.209817D+02  0.237710D+02 -0.157823D+01  0.347606D+02
      5  -0.443467D+02  0.445315D+01 -0.382074D+00  0.489971D+01 -0.106065D+01
      6   0.118660D+02 -0.114826D+01 -0.265048D+00 -0.114287D+01  0.456016D+00
               176           177           178           179           180 
      1   0.127396D+00  0.394229D+00  0.192698D+02  0.110550D+01  0.133314D+01
      2   0.209385D+02 -0.258279D+01 -0.578669D+01 -0.461099D+01 -0.233301D+00
      3  -0.210659D+02  0.218856D+01 -0.134831D+02  0.350549D+01 -0.109984D+01
      4  -0.509076D+02  0.607117D+01 -0.930770D+01  0.158631D+02 -0.853445D+01
      5   0.544991D+01 -0.580589D+01  0.850342D+01 -0.737542D+01  0.225073D+01
      6  -0.115769D+01  0.464462D+01 -0.327290D+01  0.526275D+01 -0.213501D+01
               181           182           183           184           185 
      1  -0.955599D+00 -0.280696D+01  0.109472D+02 -0.859515D+01 -0.111572D+02
      2  -0.314824D+01  0.389898D+00 -0.293628D+01  0.368787D+01  0.530026D+01
      3   0.410384D+01  0.241706D+01 -0.801096D+01  0.490728D+01  0.585694D+01
      4  -0.441752D+01 -0.388161D+01  0.173156D+00 -0.295931D+01  0.102432D+01
      5   0.698392D+01 -0.208129D+00 -0.209769D+01  0.908464D+00  0.411628D+01
      6   0.127192D+01  0.119518D+00 -0.139205D+01 -0.469562D+00 -0.507864D-02
               186           187           188           189           190 
      1   0.851070D-01  0.203744D+02 -0.545321D+00 -0.227442D+02 -0.543026D+02
      2   0.803809D+00 -0.905977D+01  0.127719D+01 -0.885356D+01  0.313140D+02
      3  -0.888916D+00 -0.113146D+02 -0.731865D+00  0.315978D+02  0.229886D+02
      4   0.371618D+01  0.147051D+01  0.629530D+01 -0.198463D+01 -0.169404D+02
      5  -0.102529D+01  0.751131D-01 -0.632312D+00  0.502246D+02  0.343510D+01
      6   0.661431D+01 -0.196808D+00  0.352509D+01  0.630844D+01  0.255038D+01
               191           192           193           194           195 
      1   0.146195D+02  0.264901D+01  0.708144D+01 -0.981230D+01 -0.842199D+00
      2  -0.149447D+02 -0.123966D+01 -0.767442D+01  0.921840D+01  0.163210D+01
      3   0.325239D+00 -0.140935D+01  0.592987D+00  0.593901D+00 -0.789903D+00
      4  -0.443284D+01  0.238980D+01  0.199198D+01 -0.517506D+00  0.188069D+01
      5   0.107012D+01 -0.176063D+01 -0.731382D-01  0.234325D+01  0.928488D+00
      6   0.230118D+00 -0.358753D+01  0.530490D+00  0.116328D+01  0.210263D+01
               196           197           198           199           200 
      1   0.423304D+01 -0.263047D+01 -0.521927D+01  0.226914D+01  0.176433D+01
      2  -0.158150D+01  0.329862D+01  0.201840D+01 -0.177378D+01  0.140095D+01
      3  -0.265154D+01 -0.668149D+00  0.320087D+01 -0.495358D+00 -0.316528D+01
      4   0.124042D+01  0.369486D+01  0.203142D+01  0.563899D+01  0.925700D+01
      5   0.126355D+01  0.303476D+01 -0.313717D+01 -0.978054D+01 -0.336903D+01
      6  -0.203079D+01  0.351882D+01 -0.120171D+01 -0.361298D+01 -0.190815D+01
               201           202           203           204           205 
      1  -0.654095D+01 -0.567845D+00 -0.516868D+00  0.256887D+01 -0.112966D+02
      2   0.518218D+01  0.225623D+01  0.194234D+01 -0.255349D+01  0.782291D+01
      3   0.135878D+01 -0.168838D+01 -0.142547D+01 -0.153808D-01  0.347368D+01
      4  -0.521109D+01  0.609607D+01  0.635214D+01 -0.476551D+01 -0.909596D+01
      5   0.136829D+02 -0.461963D+00 -0.508711D+01  0.316867D+01  0.157333D+02
      6   0.521349D+01 -0.147430D+01 -0.295730D+01  0.766250D+01  0.720664D+01
               206           207           208           209           210 
      1   0.590506D+01 -0.683649D+01  0.139043D+02  0.924270D+01  0.553879D+01
      2  -0.577593D+01 -0.832163D+01  0.182955D+01  0.814193D+01  0.539383D-01
      3  -0.129127D+00  0.151581D+02 -0.157339D+02 -0.173846D+02 -0.559272D+01
      4  -0.142192D+02  0.166267D+02  0.268570D+02  0.340908D+02  0.881368D+01
      5   0.144411D+02 -0.493317D+02  0.815620D+01  0.625601D+01  0.932755D+01
      6   0.126952D+02 -0.282924D+02  0.521428D+01  0.495513D+01  0.638431D+01
               211           212           213           214           215 
      1   0.935490D+01 -0.215426D+01 -0.886585D+00  0.999134D+01 -0.166364D+01
      2   0.811109D+01  0.304551D+02  0.773224D+01 -0.448479D+00  0.123379D+02
      3  -0.174660D+02 -0.283009D+02 -0.684566D+01 -0.954286D+01 -0.106743D+02
      4   0.335729D+02  0.554062D+02  0.152457D+02  0.165230D+02  0.276353D+02
      5   0.658447D+01  0.136852D+02  0.106212D+02  0.113198D+02  0.139530D+02
      6   0.551257D+01  0.121121D+02  0.100884D+02  0.747639D+01  0.121879D+02
               216           217           218           219           220 
      1   0.134566D+01  0.236747D+02  0.138996D+01 -0.181981D+02  0.393134D+01
      2   0.226685D+01 -0.141505D+02 -0.560513D+00  0.103971D+02 -0.176770D+01
      3  -0.361251D+01 -0.952425D+01 -0.829446D+00  0.780095D+01 -0.216364D+01
      4   0.159038D+02  0.208770D+01  0.829420D+01  0.361913D+00  0.139018D+02
      5   0.904338D+01 -0.190126D+02  0.710693D+00  0.230490D+02 -0.142952D+00
      6   0.799763D+01 -0.328736D+00  0.266157D+00  0.332595D+00 -0.900405D+00
               221           222           223           224           225 
      1   0.947517D+01  0.497529D+00 -0.487589D+02  0.177904D+01  0.286366D+02
      2  -0.475933D+01 -0.500509D+00  0.289022D+02 -0.152429D+01 -0.235864D+02
      3  -0.471584D+01  0.297977D-02  0.198567D+02 -0.254746D+00 -0.505024D+01
      4  -0.160984D+01 -0.440263D+01  0.869950D-01 -0.114648D+02  0.880091D+00
      5  -0.419120D+01  0.156516D+01  0.429434D+02 -0.567831D-01 -0.704452D+02
      6  -0.589272D+00  0.411826D+01  0.155164D+01  0.426091D+01 -0.204221D+01
               226           227           228           229           230 
      1   0.240490D+02 -0.189920D+02  0.947982D+01 -0.435983D+02  0.294057D+02
      2  -0.113619D+02  0.893309D+01 -0.506729D+01  0.211125D+02 -0.909601D+01
      3  -0.126871D+02  0.100589D+02 -0.441253D+01  0.224858D+02 -0.203096D+02
      4  -0.196124D+02  0.233518D+02 -0.649946D+01  0.407737D+02 -0.640563D+02
      5   0.109558D+02 -0.716922D+01  0.113008D+02 -0.139303D+02  0.230832D+02
      6  -0.233068D+01  0.178446D+01 -0.890981D+00  0.416506D+01 -0.666547D+01
               231           232           233           234           235 
      1  -0.847344D+01  0.206111D+02 -0.752369D+01  0.128771D+02  0.580069D+02
      2   0.517050D+01 -0.113110D+02  0.449051D+01 -0.914096D+01 -0.280775D+02
      3   0.330294D+01 -0.930016D+01  0.303318D+01 -0.373611D+01 -0.299294D+02
      4   0.217396D+02 -0.113207D+02  0.240923D+02 -0.135547D+02  0.320214D+02
      5  -0.191936D+02  0.200839D+02 -0.146917D+02  0.123527D+02  0.237174D+02
      6   0.566981D+01 -0.218171D+01  0.592204D+01 -0.397646D+01  0.496686D+01
               236           237           238           239           240 
      1   0.267328D+02  0.190043D+02  0.571418D+02  0.290775D+02  0.134954D+02
      2  -0.119786D+02 -0.101785D+02 -0.257994D+02 -0.855923D+01 -0.686402D+01
      3  -0.147542D+02 -0.882584D+01 -0.313423D+02 -0.205183D+02 -0.663135D+01
      4   0.273766D+02  0.118746D+02  0.444992D+02  0.407809D+02  0.208285D+02
      5   0.122843D+02  0.201502D+02  0.215524D+02  0.213276D+02  0.207235D+02
      6   0.292598D+01  0.277913D+01  0.647440D+01  0.667807D+01  0.621936D+01
               241           242           243           244           245 
      1   0.372394D+02  0.119253D+02  0.204880D+02  0.755252D+00  0.315987D+01
      2  -0.198910D+02 -0.576015D+01 -0.134440D+02 -0.400524D+01 -0.138629D+01
      3  -0.173484D+02 -0.616516D+01 -0.704395D+01  0.324999D+01 -0.177358D+01
      4   0.189417D+02  0.233486D+02  0.154844D+02  0.581930D+01  0.565583D+01
      5   0.317190D+02  0.159550D+02  0.198953D+02 -0.117792D+02 -0.130499D+01
      6   0.550912D+01  0.629348D+01  0.558343D+01 -0.353002D+01 -0.379081D+00
               246           247           248           249           250 
      1  -0.683873D+01  0.379232D+01  0.351850D+00  0.206014D+01 -0.885834D+01
      2   0.524354D+01 -0.157459D+01 -0.431525D-01 -0.501194D+00  0.888446D+01
      3   0.159518D+01 -0.221773D+01 -0.308698D+00 -0.155895D+01 -0.261241D-01
      4  -0.231009D+01  0.947694D+01  0.472994D+01 -0.699426D+01 -0.443039D+01
      5   0.121297D+02 -0.196112D+01 -0.707931D+01  0.886646D+01  0.174671D+02
      6   0.211691D+01 -0.159559D+01 -0.377019D+01  0.693314D+01  0.328792D+01
               251           252           253           254           255 
      1   0.239453D+01 -0.540182D+01 -0.837559D+02 -0.132067D+02  0.842331D+01
      2   0.420610D+00 -0.129961D+02  0.419550D+02  0.165534D+02 -0.539062D+01
      3  -0.281514D+01  0.183979D+02  0.418009D+02 -0.334664D+01 -0.303269D+01
      4  -0.105494D+02  0.934024D+01 -0.195103D+02  0.253312D+02  0.892714D+01
      5   0.794318D+01 -0.410900D+02  0.108277D+02  0.545110D+01  0.107351D+02
      6   0.627632D+01 -0.116429D+02  0.864143D+01  0.417734D+01  0.434306D+01
               256           257           258           259           260 
      1   0.984794D+01  0.364786D+02  0.884653D-01  0.267076D+02  0.112518D+01
      2   0.326621D+01 -0.359533D+02  0.513781D+00 -0.950286D+01  0.457169D+01
      3  -0.131142D+02 -0.525313D+00 -0.602246D+00 -0.172047D+02 -0.569687D+01
      4   0.354423D+02 -0.128512D+02  0.123224D+02  0.208453D+02  0.200788D+02
      5   0.110416D+02  0.151480D+02  0.134015D+02  0.162509D+02  0.119987D+02
      6   0.746228D+01  0.515086D+01  0.730185D+01  0.830530D+01  0.773806D+01
               261           262           263           264           265 
      1   0.134549D+02  0.480754D+01 -0.734142D+01 -0.147501D+01 -0.457585D+01
      2   0.599141D+01  0.334711D+01 -0.321616D+01 -0.269299D+00 -0.823473D+01
      3  -0.194463D+02 -0.815465D+01  0.105576D+02  0.174431D+01  0.128106D+02
      4   0.155980D+02 -0.145488D+02  0.213848D+02  0.422001D+01  0.266781D+02
      5  -0.265962D+02 -0.491661D+01  0.561019D+01  0.385506D+01  0.661377D+01
      6  -0.839145D+01  0.342443D+01 -0.404802D+01 -0.160967D+01 -0.546924D+01
               266           267           268           269           270 
      1  -0.109369D+02 -0.315817D+01  0.721078D+00 -0.130287D+00 -0.150365D+01
      2   0.392789D+02  0.507208D+01  0.252347D+01 -0.743104D+01  0.176139D+01
      3  -0.283420D+02 -0.191391D+01 -0.324455D+01  0.756133D+01 -0.257739D+00
      4  -0.655137D+02 -0.123235D+02 -0.452561D+01  0.108397D+02 -0.353903D+01
      5  -0.145417D+02 -0.112126D+02  0.196953D+01 -0.328151D+01 -0.266498D+01
      6   0.170823D+02  0.845811D+01 -0.117669D+01  0.387696D+01  0.182654D+01
               271           272           273           274           275 
      1   0.128136D+03  0.141957D+02 -0.410553D+01 -0.195058D+01  0.664451D+01
      2  -0.594641D+02 -0.245756D+01  0.153375D+01  0.399977D+01  0.122385D+00
      3  -0.686715D+02 -0.117382D+02  0.257178D+01 -0.204919D+01 -0.676689D+01
      4   0.499706D+02  0.211968D+02  0.352646D-01  0.129915D+02  0.684953D+01
      5   0.417359D+01  0.143848D+01  0.133401D+02 -0.585058D+00 -0.170263D+01
      6  -0.808954D+00  0.138973D+01  0.426496D+01  0.128742D+00 -0.553874D-01
               276           277           278           279           280 
      1   0.183551D+00 -0.168244D+02 -0.176253D+01  0.920413D+01  0.121405D+00
      2  -0.332270D+00  0.712355D+01 -0.614632D+00 -0.653446D+01  0.319599D+01
      3   0.148719D+00  0.970082D+01  0.237716D+01 -0.266967D+01 -0.331739D+01
      4  -0.188106D+01 -0.812719D+01 -0.560611D+01  0.271860D+01  0.338390D+01
      5  -0.103714D+01  0.132890D+02  0.798899D+00 -0.525285D+00 -0.230035D+01
      6   0.218441D+00  0.374927D+01  0.909647D+00 -0.224995D+00 -0.953809D+00
               281           282           283           284           285 
      1   0.145763D+02 -0.124157D+01  0.118952D+02 -0.331567D+02 -0.109677D+00
      2  -0.158022D+02  0.987662D+00 -0.567206D+01  0.536459D+02 -0.101354D+01
      3   0.122588D+01  0.253912D+00 -0.622318D+01 -0.204891D+02  0.112322D+01
      4  -0.864452D+01 -0.193872D+01  0.881957D+01  0.510734D+02 -0.518409D+00
      5  -0.771787D-01 -0.277716D+01  0.148986D+01 -0.310184D+01  0.606346D+01
      6  -0.144777D+01 -0.250900D+01 -0.171529D+00  0.414078D+01  0.674079D+01
               286           287           288           289           290 
      1  -0.523505D+01  0.218549D+01 -0.561960D+01  0.588886D+01  0.117453D+01
      2   0.172468D+01 -0.570917D+01  0.430623D+01 -0.580189D+01 -0.190355D+01
      3   0.351037D+01  0.352368D+01  0.131337D+01 -0.869700D-01  0.729019D+00
      4  -0.426818D+01 -0.912209D+01  0.333705D+01 -0.136469D+00 -0.284162D+01
      5   0.159152D+00  0.456105D+01  0.422121D+00  0.353760D+01 -0.134227D+01
      6  -0.615146D+00  0.632527D+01 -0.549680D+00  0.207514D+00 -0.143447D+01
               291           292           293           294           295 
      1   0.567672D+01 -0.527071D+01 -0.585885D+01 -0.477599D+00  0.115175D+02
      2  -0.223302D+01  0.198842D+01  0.330871D+01  0.291881D+01 -0.686142D+01
      3  -0.344370D+01  0.328230D+01  0.255013D+01 -0.244121D+01 -0.465609D+01
      4   0.703730D-01 -0.343559D+01 -0.279627D+01  0.221024D+01  0.659125D+01
      5   0.482279D+00 -0.240477D+01  0.199249D+01 -0.541692D+01  0.101076D+02
      6  -0.111306D+01 -0.866654D+00 -0.302453D-02  0.138115D+01  0.215191D+01
               296           297 
      1  -0.120430D+01 -0.118358D+02
      2   0.355886D+01 -0.131760D+02
      3  -0.235456D+01  0.250118D+02
      4   0.101535D+02  0.617065D+00
      5   0.171172D+01  0.446256D+02
      6   0.481751D+01  0.178437D+02
 Leave Link  716 at Mon Sep 27 12:02:43 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220775D+03 -0.164226D+01  0.204008D+01
      2  -0.164226D+01  0.139206D+03 -0.751019D+01
      3   0.204008D+01 -0.751019D+01  0.150143D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.791160D+01 -0.707278D+01  0.236356D+02
      2  -0.915937D+00 -0.655597D+01  0.359447D+02
      3  -0.100898D+03 -0.423759D+02  0.120340D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.251834D+03  0.389770D+02 -0.229167D+02
      2  -0.134784D+03 -0.240723D+02  0.414547D+02
      3  -0.117049D+03 -0.149047D+02 -0.185380D+02
      4  -0.422688D+02  0.763575D+02 -0.145929D+02
      5  -0.263743D+02 -0.203350D+02  0.748904D+02
      6   0.205026D+00  0.215619D+02 -0.365538D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118962D+02 -0.131729D+00  0.798541D+00  0.577536D+01  0.203799D+01
      2  -0.131729D+00  0.138429D+01  0.106348D-01  0.203799D+01  0.200331D+01
      3   0.798541D+00  0.106348D-01  0.147566D+01 -0.257530D+00 -0.280525D+01
                 6             7             8             9            10 
      1  -0.257530D+00 -0.101811D+02  0.226747D+00 -0.322137D+00  0.301278D+02
      2  -0.280525D+01  0.226747D+00 -0.131281D+01 -0.113958D+01  0.153969D+01
      3  -0.210992D+01 -0.322137D+00 -0.113958D+01 -0.211624D+01 -0.104334D+01
                11            12            13            14            15 
      1   0.153969D+01 -0.104334D+01 -0.531823D+00  0.451993D+01  0.133264D+01
      2   0.199731D+01 -0.698046D+00  0.451993D+01 -0.786543D+00 -0.174640D+00
      3  -0.698046D+00  0.295049D+01  0.133264D+01 -0.174640D+00 -0.893056D+00
                16            17            18            19            20 
      1  -0.381674D+01  0.149891D+01  0.107678D+01  0.866891D+01 -0.931333D-02
      2   0.149891D+01  0.104987D+00 -0.678249D+00 -0.931333D-02 -0.134916D+01
      3   0.107678D+01 -0.678249D+00 -0.366491D+00 -0.769270D+00 -0.361565D+00
                21            22            23            24            25 
      1  -0.769270D+00  0.420956D+01 -0.138153D+01 -0.102275D+01 -0.132427D+02
      2  -0.361565D+00 -0.138153D+01  0.253188D+01 -0.228468D+01 -0.150543D+00
      3  -0.329711D+01 -0.102275D+01 -0.228468D+01 -0.121059D+01  0.457437D+00
                26            27            28            29            30 
      1  -0.150543D+00  0.457437D+00 -0.274979D+02 -0.644664D+00  0.998615D+00
      2  -0.809209D+00 -0.718009D+00 -0.644664D+00 -0.161081D+01  0.234422D+00
      3  -0.718009D+00 -0.166314D+01  0.998615D+00  0.234422D+00 -0.271493D+01
                31            32            33            34            35 
      1   0.195728D+01 -0.479574D+01 -0.139031D+01  0.250403D+01 -0.128488D+01
      2  -0.479574D+01  0.525688D+00  0.387065D+00 -0.128488D+01 -0.562854D-01
      3  -0.139031D+01  0.387065D+00  0.523338D-01 -0.725947D+00 -0.806525D+00
                36            37            38            39            40 
      1  -0.725947D+00  0.131078D+02 -0.357105D+00 -0.803728D+00 -0.382589D+01
      2  -0.806525D+00 -0.357105D+00 -0.242856D+01  0.136100D+01 -0.169355D+01
      3   0.856833D+00 -0.803728D+00  0.136100D+01 -0.225862D+01 -0.115534D+00
                41            42            43            44            45 
      1  -0.169355D+01 -0.115534D+00  0.111897D+02 -0.162601D+01  0.453733D+00
      2  -0.270986D+01  0.258293D+01 -0.162601D+01  0.133716D+01  0.127907D+01
      3   0.258293D+01  0.193620D+01  0.453733D+00  0.127907D+01  0.174212D+01
                46            47            48            49            50 
      1  -0.961211D+01  0.421038D+00  0.489924D+00 -0.294834D+01  0.100740D+01
      2   0.421038D+00  0.196359D+01 -0.754727D+00  0.100740D+01 -0.350721D+01
      3   0.489924D+00 -0.754727D+00  0.362157D+01  0.146420D+01  0.216688D+01
                51            52            53            54            55 
      1   0.146420D+01  0.130070D+02  0.130000D+01 -0.935588D+00 -0.148239D+02
      2   0.216688D+01  0.130000D+01  0.326915D-01  0.142406D+01 -0.216996D+01
      3   0.117385D+01 -0.935588D+00  0.142406D+01  0.878907D+00 -0.470815D+00
                56            57            58            59            60 
      1  -0.216996D+01 -0.470815D+00 -0.560721D+01 -0.705275D+01 -0.512621D+00
      2  -0.349077D+01 -0.145924D+00 -0.705275D+01  0.245915D+01 -0.170427D+01
      3  -0.145924D+00 -0.137049D+01 -0.512621D+00 -0.170427D+01 -0.777809D-01
                61            62            63            64            65 
      1  -0.564057D+01 -0.127679D+01 -0.298887D+01 -0.118901D+01  0.310900D+01
      2  -0.127679D+01 -0.308021D+01  0.549174D+00  0.310900D+01  0.385998D+01
      3  -0.298887D+01  0.549174D+00  0.530641D+01  0.781718D-01  0.399293D+00
                66            67            68            69            70 
      1   0.781718D-01  0.108454D+02  0.636227D+01  0.748106D+00  0.572213D+01
      2   0.399293D+00  0.636227D+01 -0.192493D+01  0.216818D+01  0.131401D+01
      3   0.243054D+01  0.748106D+00  0.216818D+01  0.569027D+00  0.367694D+01
                71            72            73            74            75 
      1   0.131401D+01  0.367694D+01  0.598364D+01 -0.248358D+01 -0.121556D+01
      2   0.319427D+01  0.612086D+00 -0.248358D+01 -0.349691D+01 -0.703905D+00
      3   0.612086D+00 -0.712810D+01 -0.121556D+01 -0.703905D+00 -0.187098D+01
                76            77            78            79            80 
      1  -0.363718D+01 -0.387777D+01 -0.893935D+00 -0.225157D+01 -0.917940D+00
      2  -0.387777D+01  0.127683D+00 -0.287341D+01 -0.917940D+00 -0.398228D+01
      3  -0.893935D+00 -0.287341D+01 -0.108473D+01 -0.263150D+01 -0.193000D+01
                81            82            83            84            85 
      1  -0.263150D+01  0.589852D+01 -0.187022D+01 -0.579194D+00 -0.381697D+01
      2  -0.193000D+01 -0.187022D+01 -0.341915D+01 -0.573118D+00 -0.543651D+01
      3   0.532373D+01 -0.579194D+00 -0.573118D+00 -0.280147D+01 -0.850609D+00
                86            87            88            89            90 
      1  -0.543651D+01 -0.850609D+00 -0.197470D+01 -0.906108D+00 -0.446330D+01
      2   0.225323D+01 -0.372703D+01 -0.906108D+00 -0.382980D+01 -0.337073D+00
      3  -0.372703D+01 -0.485727D+00 -0.446330D+01 -0.337073D+00  0.459984D+01
                91            92            93            94            95 
      1   0.402107D+01  0.244305D+01  0.368996D+00 -0.244439D+00  0.579551D+01
      2   0.244305D+01  0.212428D+01  0.105215D+01  0.579551D+01 -0.331417D+01
      3   0.368996D+00  0.105215D+01  0.136357D+01  0.185876D+01  0.139881D+00
                96            97            98            99           100 
      1   0.185876D+01  0.380880D+01  0.179281D+01  0.188800D+01  0.259488D+01
      2   0.139881D+00  0.179281D+01  0.210489D+01  0.198099D+01 -0.161037D+01
      3   0.155895D+01  0.188800D+01  0.198099D+01 -0.408555D+01  0.167548D+01
               101           102           103           104           105 
      1  -0.161037D+01  0.167548D+01 -0.155389D+01 -0.883887D+00 -0.131181D+01
      2   0.862171D-02 -0.869827D+00 -0.883887D+00  0.365094D+01  0.881050D-02
      3  -0.869827D+00  0.381047D+00 -0.131181D+01  0.881050D-02 -0.168190D+01
               106           107           108           109           110 
      1   0.274650D+01 -0.250122D+01  0.146259D+01 -0.531299D+01  0.204895D+01
      2  -0.250122D+01  0.165195D+01 -0.263534D+01  0.204895D+01 -0.139899D+01
      3   0.146259D+01 -0.263534D+01  0.288673D+01 -0.352563D+01  0.700802D+00
               111           112           113           114           115 
      1  -0.352563D+01  0.302363D+01 -0.233103D+01  0.126033D+01 -0.780624D+01
      2   0.700802D+00 -0.233103D+01  0.242709D+01 -0.220637D+01  0.292736D+01
      3  -0.185087D+01  0.126033D+01 -0.220637D+01  0.203021D+01 -0.326049D+01
               116           117           118           119           120 
      1   0.292736D+01 -0.326049D+01  0.925325D+00 -0.341653D-01  0.125703D+01
      2  -0.424732D+01  0.212108D+01 -0.341653D-01  0.221890D+01  0.412785D+00
      3   0.212108D+01 -0.745387D+01  0.125703D+01  0.412785D+00  0.254322D+00
               121           122           123           124           125 
      1   0.199785D-01  0.222774D+01  0.134712D+00  0.342743D+01 -0.124311D+01
      2   0.222774D+01 -0.589829D+01  0.835452D+00 -0.124311D+01  0.296979D+01
      3   0.134712D+00  0.835452D+00  0.256380D+00 -0.103399D+01  0.262927D+01
               126           127           128           129           130 
      1  -0.103399D+01  0.195318D+01  0.612239D+00 -0.197353D+01  0.283737D+00
      2   0.262927D+01  0.612239D+00  0.285236D+00 -0.424889D+00  0.135062D+00
      3   0.462765D+01 -0.197353D+01 -0.424889D+00  0.211945D+01 -0.651115D+00
               131           132           133           134           135 
      1   0.135062D+00 -0.651115D+00 -0.226140D+01 -0.880215D+00  0.262401D+01
      2   0.388789D+00 -0.581843D+00 -0.880215D+00 -0.118939D+01  0.169985D+01
      3  -0.581843D+00  0.219456D+01  0.262401D+01  0.169985D+01 -0.702598D+01
               136           137           138           139           140 
      1  -0.373316D+01  0.990389D+00 -0.183952D+01  0.152414D+01 -0.574177D+00
      2   0.990389D+00 -0.723806D+00  0.583956D+00 -0.574177D+00  0.574435D+00
      3  -0.183952D+01  0.583956D+00 -0.177997D+01  0.110994D+01 -0.593769D+00
               141           142           143           144           145 
      1   0.110994D+01 -0.246076D+01  0.927294D+00 -0.249381D+01 -0.206099D+01
      2  -0.593769D+00  0.927294D+00 -0.120254D+01  0.141579D+01 -0.659955D+00
      3   0.172239D+01 -0.249381D+01  0.141579D+01 -0.441593D+01  0.208515D+01
               146           147           148           149           150 
      1  -0.659955D+00  0.208515D+01 -0.464312D+00 -0.156943D+00  0.706997D+00
      2  -0.355530D+00  0.658307D+00 -0.156943D+00 -0.565227D+00  0.786416D+00
      3   0.658307D+00 -0.224281D+01  0.706997D+00  0.786416D+00 -0.232955D+01
               151           152           153           154           155 
      1   0.207243D+01  0.104274D+01 -0.270069D+01  0.363792D+01 -0.114543D+01
      2   0.104274D+01  0.157304D+01 -0.239770D+01 -0.114543D+01  0.917093D+00
      3  -0.270069D+01 -0.239770D+01  0.733062D+01  0.251239D+01 -0.112388D+01
               156           157           158           159           160 
      1   0.251239D+01 -0.185453D+01  0.719055D+00 -0.139133D+01  0.265979D+01
      2  -0.112388D+01  0.719055D+00 -0.806604D+00  0.890860D+00 -0.125961D+01
      3   0.230842D+01 -0.139133D+01  0.890860D+00 -0.205929D+01  0.288426D+01
               161           162           163           164           165 
      1  -0.125961D+01  0.288426D+01  0.112016D+01 -0.252353D-01 -0.144055D+01
      2   0.162904D+01 -0.211554D+01 -0.252353D-01  0.717334D+00  0.284572D+00
      3  -0.211554D+01  0.497676D+01 -0.144055D+01  0.284572D+00  0.134822D+01
               166           167           168           169           170 
      1   0.166396D+01  0.114399D+01 -0.920188D-01 -0.366135D+01  0.122073D+00
      2   0.114399D+01 -0.347522D+00 -0.639603D+00  0.122073D+00 -0.115348D+01
      3  -0.920188D-01 -0.639603D+00  0.179410D+00  0.238233D+01 -0.116044D+01
               171           172           173           174           175 
      1   0.238233D+01  0.405927D+01 -0.182845D+01  0.620871D+00 -0.418458D+01
      2  -0.116044D+01 -0.182845D+01  0.230037D+01 -0.509399D-01  0.338408D+01
      3  -0.617665D+01  0.620871D+00 -0.509399D-01  0.366646D+00 -0.190786D+00
               176           177           178           179           180 
      1   0.338408D+01 -0.190786D+00  0.473581D+01 -0.419566D+00  0.101780D+01
      2  -0.650293D+01  0.812885D+00 -0.419566D+00  0.204224D+01 -0.102649D+01
      3   0.812885D+00 -0.759324D+00  0.101780D+01 -0.102649D+01  0.274004D+00
               181           182           183           184           185 
      1  -0.603038D+00 -0.735524D+00  0.120882D+01 -0.153790D+01 -0.815662D+00
      2  -0.735524D+00 -0.798969D+00 -0.508957D-01 -0.815662D+00  0.181706D+00
      3   0.120882D+01 -0.508957D-01 -0.964674D+00  0.959532D-01  0.644764D+00
               186           187           188           189           190 
      1   0.959532D-01  0.221358D+01  0.138098D+00 -0.605093D+00 -0.865938D+01
      2   0.644764D+00  0.138098D+00  0.104400D+01 -0.511164D-01  0.597862D+00
      3  -0.842178D-01 -0.605093D+00 -0.511164D-01  0.709157D+01  0.481477D+00
               191           192           193           194           195 
      1   0.597862D+00  0.481477D+00  0.222676D+00 -0.138896D+01  0.507926D-01
      2  -0.232947D+01  0.781216D-01 -0.138896D+01  0.654947D+00  0.321069D+00
      3   0.781216D-01 -0.669588D+00  0.507926D-01  0.321069D+00  0.404485D+00
               196           197           198           199           200 
      1   0.552442D+00 -0.130906D+00 -0.311258D+00  0.388854D+00  0.619886D+00
      2  -0.130906D+00  0.605667D+00  0.561942D+00  0.619886D+00  0.907960D+00
      3  -0.311258D+00  0.561942D+00 -0.271913D+00 -0.977977D+00 -0.296729D+00
               201           202           203           204           205 
      1  -0.977977D+00  0.298380D+00  0.557184D+00 -0.689978D-01 -0.180548D+01
      2  -0.296729D+00  0.557184D+00  0.771256D+00 -0.656837D+00 -0.550263D+00
      3   0.134306D+01 -0.689978D-01 -0.656837D+00  0.547404D+00  0.146938D+01
               206           207           208           209           210 
      1  -0.550263D+00  0.146938D+01  0.237440D+01  0.262765D+01  0.934105D+00
      2  -0.200292D+01  0.191252D+01  0.262765D+01  0.341370D+01  0.758668D+00
      3   0.191252D+01 -0.663342D+01  0.934105D+00  0.758668D+00  0.990488D+00
               211           212           213           214           215 
      1   0.236739D+01  0.326582D+01  0.862595D+00  0.189449D+01  0.153446D+01
      2   0.326582D+01  0.667948D+01  0.190531D+01  0.153446D+01  0.344158D+01
      3   0.862595D+00  0.190531D+01  0.136239D+01  0.125346D+01  0.183887D+01
               216           217           218           219           220 
      1   0.125346D+01  0.183003D+01  0.136044D+00 -0.145942D+01  0.426370D+00
      2   0.183887D+01  0.136044D+00  0.612220D+00  0.611760D-01  0.111268D+01
      3   0.110155D+01 -0.145942D+01  0.611760D-01  0.162419D+01 -0.187955D-01
               221           222           223           224           225 
      1   0.111268D+01 -0.187955D-01 -0.446498D+01  0.106290D+00  0.334891D+01
      2  -0.156035D+00 -0.410986D+00  0.106290D+00 -0.982518D+00 -0.244707D-01
      3  -0.410986D+00  0.150073D+00  0.334891D+01 -0.244707D-01 -0.608704D+01
               226           227           228           229           230 
      1   0.181168D+01 -0.163003D+01  0.818406D+00 -0.396554D+01  0.334783D+01
      2  -0.163003D+01  0.174080D+01 -0.501641D+00  0.334783D+01 -0.579924D+01
      3   0.818406D+00 -0.501641D+00  0.829159D+00 -0.103210D+01  0.194191D+01
               231           232           233           234           235 
      1  -0.103210D+01  0.194951D+01 -0.937945D+00  0.158296D+01  0.478910D+01
      2   0.194191D+01 -0.937945D+00  0.218562D+01 -0.126746D+01  0.242674D+01
      3  -0.156180D+01  0.158296D+01 -0.126746D+01  0.105441D+01  0.172632D+01
               236           237           238           239           240 
      1   0.242674D+01  0.172632D+01  0.565432D+01  0.350989D+01  0.161884D+01
      2   0.197112D+01  0.919336D+00  0.350989D+01  0.339403D+01  0.177662D+01
      3   0.919336D+00  0.138872D+01  0.161884D+01  0.177662D+01  0.163454D+01
               241           242           243           244           245 
      1   0.371676D+01  0.149512D+01  0.244407D+01  0.403207D+00 -0.817229D+00
      2   0.149512D+01  0.199163D+01  0.131874D+01 -0.817229D+00 -0.493695D+00
      3   0.244407D+01  0.131874D+01  0.158368D+01  0.134083D+01  0.682707D-01
               246           247           248           249           250 
      1   0.134083D+01 -0.121893D+01 -0.101551D+01  0.176908D+00  0.263532D+01
      2   0.682707D-01 -0.101551D+01 -0.624427D+00  0.106406D+01  0.231920D+00
      3  -0.110916D+01  0.176908D+00  0.106406D+01 -0.123070D+01 -0.192527D+01
               251           252           253           254           255 
      1   0.231920D+00 -0.192527D+01  0.819758D+01 -0.235159D+00 -0.175936D+01
      2   0.146663D+01 -0.108967D+01 -0.235159D+00 -0.361265D+01 -0.809855D+00
      3  -0.108967D+01  0.595328D+01 -0.175936D+01 -0.809855D+00 -0.114354D+01
               256           257           258           259           260 
      1  -0.457214D+01 -0.394594D+01 -0.127970D+01 -0.621832D+01 -0.160245D+01
      2  -0.394594D+01  0.343626D+01 -0.146891D+01 -0.160245D+01 -0.264371D+01
      3  -0.127970D+01 -0.146891D+01 -0.189195D+01 -0.162959D+01 -0.147076D+01
               261           262           263           264           265 
      1  -0.162959D+01 -0.113992D+01  0.157873D+01  0.514442D+00  0.178682D+01
      2  -0.147076D+01  0.157873D+01 -0.216256D+01 -0.498307D+00 -0.304548D+01
      3   0.365332D+01  0.514442D+00 -0.498307D+00 -0.450455D+00 -0.588217D+00
               266           267           268           269           270 
      1  -0.304548D+01 -0.588217D+00 -0.296177D+00  0.584064D+00 -0.229318D+00
      2   0.954964D+01  0.180941D+01  0.584064D+00 -0.146807D+01  0.547888D+00
      3   0.180941D+01  0.165899D+01 -0.229318D+00  0.547888D+00  0.438023D+00
               271           272           273           274           275 
      1  -0.150574D+02 -0.224424D+01  0.174605D+00  0.270703D+00 -0.103888D+01
      2  -0.224424D+01 -0.150771D+01 -0.148324D+00 -0.103888D+01 -0.580275D+00
      3   0.174605D+00 -0.148324D+00 -0.106241D+01  0.928048D-01  0.202468D+00
               276           277           278           279           280 
      1   0.928048D-01  0.223550D+01  0.489777D+00 -0.114377D+01  0.544497D-01
      2   0.202468D+00  0.489777D+00  0.643347D+00 -0.527010D-01 -0.788575D+00
      3   0.226152D+00 -0.114377D+01 -0.527010D-01  0.323767D-01  0.307955D+00
               281           282           283           284           285 
      1  -0.788575D+00  0.307955D+00 -0.152297D+01 -0.664714D-01 -0.332469D-01
      2   0.226635D+01  0.216915D+00 -0.664714D-01 -0.830821D+01  0.492829D-01
      3   0.216915D+00  0.439770D+00 -0.332469D-01  0.492829D-01 -0.914482D+00
               286           287           288           289           290 
      1   0.991618D+00  0.310159D+00  0.794342D-01 -0.361809D+00  0.269672D+00
      2   0.310159D+00  0.132831D+01 -0.721852D+00  0.269672D+00  0.489587D+00
      3   0.794342D-01 -0.721852D+00 -0.852106D-01 -0.534218D+00  0.212162D+00
               291           292           293           294           295 
      1  -0.534218D+00  0.115692D+01  0.374368D+00  0.187827D+00 -0.198075D+01
      2   0.212162D+00  0.374368D+00  0.221955D+00 -0.366636D+00 -0.354295D+00
      3   0.351748D+00  0.187827D+00 -0.366636D+00  0.717684D+00 -0.701466D+00
               296           297 
      1  -0.354295D+00 -0.701466D+00
      2  -0.138629D+01 -0.268346D+00
      3  -0.268346D+00 -0.620227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146049D+01 -0.226439D+01  0.140190D+01 -0.677175D+01 -0.237471D+01
      2   0.324089D+01 -0.224216D+01  0.961123D+01 -0.240580D+01  0.163318D+01
      3   0.165288D+02 -0.156414D+01  0.288311D+01  0.802545D+01 -0.157862D+01
                 6             7             8             9            10 
      1  -0.213766D+01 -0.144362D+01  0.214730D+01 -0.138214D+00 -0.126979D+01
      2  -0.337998D+01 -0.451992D+01 -0.122211D+01  0.258610D+01 -0.491963D-01
      3   0.231024D+01  0.139668D+02  0.495790D+00  0.289623D+01 -0.293110D+02
                11            12            13            14            15 
      1   0.108749D+00  0.169048D+01  0.213498D+01  0.434060D+01 -0.857283D+01
      2   0.695874D+00 -0.394811D+01  0.501002D+01  0.213127D+00  0.856098D+00
      3  -0.920589D+00  0.508841D+00  0.110389D+02 -0.151067D+01 -0.461916D+00
                16            17            18            19            20 
      1  -0.323486D+01 -0.201045D+01 -0.501793D+01 -0.502395D+00  0.169572D+01
      2  -0.249561D+02 -0.169233D+01 -0.311730D+01 -0.422856D+01 -0.197436D+01
      3  -0.132024D+01 -0.151540D+01 -0.145945D+01 -0.100361D+02 -0.164098D+01
                21            22            23            24            25 
      1  -0.141716D+01  0.568100D+01 -0.187272D+01 -0.339706D+01  0.477167D+01
      2   0.276023D+01 -0.412416D+01 -0.198285D+01  0.109968D+01 -0.107890D+01
      3   0.239843D+01  0.794497D+01  0.144508D+01 -0.274293D+01  0.165552D+02
                26            27            28            29            30 
      1   0.191033D+01 -0.161666D+01  0.135778D+01  0.507722D+00 -0.274425D+01
      2   0.862683D+00 -0.119595D+01  0.883821D+00  0.217457D+01 -0.358597D+01
      3  -0.108348D+01 -0.439711D+01  0.255673D+02  0.926721D+00 -0.258468D+01
                31            32            33            34            35 
      1  -0.152020D+01  0.461157D+01 -0.878528D+01 -0.496911D+01 -0.145650D+01
      2   0.460288D+01  0.136533D+00  0.241733D+01 -0.259687D+02  0.298770D+01
      3   0.907329D+01  0.511282D+01  0.838862D+00 -0.595695D+01 -0.181396D+01
                36            37            38            39            40 
      1  -0.349567D+01 -0.197811D+01 -0.105290D+01 -0.147104D+01 -0.570915D+01
      2  -0.187343D+01  0.673624D+00 -0.257145D+01  0.870593D+01 -0.309606D+01
      3   0.201463D+01 -0.130130D+02 -0.553158D+00  0.290707D+01  0.139391D+02
                41            42            43            44            45 
      1   0.115476D+01  0.814027D+00 -0.198511D+01  0.380361D+01  0.273777D+01
      2   0.161263D+01 -0.217140D+01 -0.704216D+01 -0.938912D+00  0.246717D+01
      3  -0.795869D+00  0.239164D+01 -0.990467D+01  0.339744D+01  0.153893D+01
                46            47            48            49            50 
      1   0.111980D+01  0.163317D+01  0.292949D+01  0.839013D+01  0.120586D+01
      2  -0.245385D+01 -0.203810D+01  0.339652D+01 -0.382909D+01 -0.180648D+01
      3   0.124845D+02 -0.197432D+01 -0.505597D+00  0.136817D+02  0.150421D+01
                51            52            53            54            55 
      1  -0.255971D+01  0.267985D+01  0.360555D+01  0.733751D+00 -0.155017D+01
      2   0.106733D+01 -0.180513D+01  0.145801D+01 -0.157039D+01 -0.412446D+01
      3  -0.435910D+01 -0.104401D+02 -0.154542D+01 -0.136268D+01  0.157491D+02
                56            57            58            59            60 
      1  -0.101638D+00 -0.521577D+00 -0.248399D+00 -0.535058D+01 -0.883469D+00
      2   0.231682D+00 -0.794812D+00 -0.182517D+01 -0.104124D+02  0.108586D+01
      3   0.100290D+02  0.686768D+00  0.347708D+02 -0.693823D+00  0.612831D+01
                61            62            63            64            65 
      1  -0.265988D-01  0.390832D+01  0.453788D+01  0.198587D+01  0.102808D+01
      2  -0.204553D+02  0.276752D+00  0.202894D+02  0.479995D+01  0.157718D+01
      3   0.947948D+01  0.111743D+02  0.174084D+01 -0.201576D+02 -0.198095D+02
                66            67            68            69            70 
      1  -0.159570D+01 -0.514719D+00 -0.177244D+01 -0.185884D+01  0.441882D+00
      2   0.124103D+02  0.471211D+01  0.104688D+02  0.468361D+00  0.118720D+02
      3  -0.182608D+01 -0.251220D+02  0.720121D+01 -0.887883D+01 -0.100472D+02
                71            72            73            74            75 
      1   0.455448D+01  0.410618D+01  0.228091D+01  0.220056D+01  0.469908D+01
      2   0.333558D+01 -0.326926D+02 -0.139749D+01 -0.409442D+01 -0.487871D+01
      3  -0.133540D+02 -0.259250D+01  0.253585D+02  0.378942D+01  0.602079D+00
                76            77            78            79            80 
      1   0.292713D+01  0.905875D+01  0.181565D+01  0.647821D+01  0.800424D+01
      2  -0.510234D+01 -0.106505D+02 -0.394020D+01 -0.114761D+02 -0.666249D+01
      3   0.982684D+01 -0.786128D+01  0.849537D+01  0.109648D+01  0.118925D+02
                81            82            83            84            85 
      1  -0.114513D+02 -0.384144D+00 -0.253110D+00  0.242600D+00 -0.884625D-01
      2   0.181173D+02 -0.627445D+01 -0.251794D+01 -0.146547D+02 -0.392952D+01
      3   0.299600D+01  0.970170D+01  0.180299D+02  0.308265D+01  0.359646D+02
                86            87            88            89            90 
      1   0.111770D+01 -0.213468D+01  0.578230D+00  0.893666D+00 -0.108353D+01
      2  -0.208295D+02 -0.115558D+01 -0.295355D+02 -0.159761D+01  0.268441D+02
      3  -0.138263D+02  0.215277D+02  0.472656D+01  0.214569D+02  0.204159D+01
                91            92            93            94            95 
      1   0.803827D+00  0.581294D+00  0.210285D+01  0.213281D+01 -0.159660D+01
      2  -0.390335D+01 -0.381771D+01 -0.612285D+00 -0.407378D+01 -0.340308D+01
      3  -0.174419D+01  0.130714D+01  0.331977D+01  0.322237D+02 -0.155656D+02
                96            97            98            99           100 
      1  -0.308518D+01  0.289468D+01  0.513222D+01 -0.124509D+01 -0.800954D+00
      2  -0.708378D+01 -0.156807D+02 -0.691390D+01  0.148015D+02  0.130946D+01
      3  -0.596914D+00  0.229519D+01  0.508793D+01  0.531052D+01  0.124208D+02
               101           102           103           104           105 
      1  -0.541878D+01 -0.516127D+01 -0.323094D+00 -0.124690D+00  0.217860D+01
      2   0.351117D+01  0.475813D+01  0.212342D+01  0.172343D+01  0.132157D+02
      3  -0.139045D+02 -0.508053D+01 -0.707720D+01  0.354932D+01  0.232336D+01
               106           107           108           109           110 
      1  -0.672074D+01  0.340336D+00 -0.362931D+01  0.404133D+01  0.287615D+01
      2  -0.453914D+01  0.106637D+02 -0.169932D+02  0.968427D+01 -0.265358D+01
      3  -0.102801D+02  0.121678D+02 -0.720919D+01 -0.608138D+00 -0.451864D+01
               111           112           113           114           115 
      1   0.391960D+01 -0.407837D+00  0.293591D+00 -0.651136D+01  0.386254D+01
      2   0.894683D+01 -0.903115D+00  0.760503D+01 -0.105997D+02  0.494335D+01
      3   0.711868D+00 -0.440996D+01  0.115689D+02 -0.784181D+01  0.110601D+02
               116           117           118           119           120 
      1   0.502591D+01  0.111230D+02 -0.358024D+01  0.263989D+01  0.104694D+00
      2  -0.686236D+01  0.305237D+02 -0.563170D+01 -0.911166D+00  0.747331D-01
      3  -0.185387D+02  0.615199D+01 -0.119884D+01  0.702379D+01  0.408341D+01
               121           122           123           124           125 
      1   0.122867D+01 -0.557088D+01 -0.284096D+01 -0.198183D+01  0.697721D+01
      2  -0.231539D+01 -0.478436D+01 -0.206459D+01 -0.158590D+01 -0.779000D+01
      3   0.817214D+01 -0.151733D+02  0.314971D+01 -0.198099D+01  0.937803D+01
               126           127           128           129           130 
      1  -0.701718D+01 -0.177961D+01 -0.193542D+01  0.937038D+00 -0.223387D+00
      2  -0.154886D+02  0.431148D+01  0.882374D+00 -0.923496D+00  0.489114D+00
      3   0.861491D+01 -0.186233D+00 -0.980431D+00  0.815301D+00  0.106734D+01
               131           132           133           134           135 
      1  -0.126098D+01 -0.286364D+00  0.266547D+01  0.530754D+01 -0.461585D+01
      2  -0.493004D-01  0.618125D+00 -0.473952D+01 -0.353363D+00 -0.173147D+01
      3  -0.439598D+00  0.401763D+00  0.815276D+00  0.215031D+01 -0.153078D+01
               136           137           138           139           140 
      1  -0.212928D+01  0.292362D+01 -0.684288D+00  0.111845D+01 -0.122455D+01
      2  -0.806013D+01  0.149344D+01 -0.786297D+00  0.171262D+01 -0.594553D+00
      3   0.395239D+00 -0.162572D+01  0.758332D+00  0.571537D+00  0.116522D+01
               141           142           143           144           145 
      1  -0.639993D+00 -0.193726D+01  0.402305D+01 -0.251461D+01  0.170546D+01
      2   0.180284D-01 -0.432713D+01  0.517954D+00  0.103085D+01  0.416427D+01
      3  -0.412683D+00  0.669336D+00 -0.259386D+01  0.165835D+01  0.267838D+01
               146           147           148           149           150 
      1  -0.937223D+00 -0.221908D+01  0.972053D+00 -0.215102D-02 -0.355441D+01
      2   0.440539D+00 -0.865527D+00  0.477799D+00 -0.166931D+00  0.622941D+00
      3  -0.112714D+00 -0.198359D+01  0.171100D+01 -0.374091D+00 -0.504460D+00
               151           152           153           154           155 
      1  -0.159953D+01  0.241346D+01  0.525569D+01  0.233013D+01  0.132703D+01
      2  -0.444314D+01 -0.276255D+00 -0.123234D+01 -0.534999D+01  0.259823D+00
      3  -0.228203D+01  0.916096D+00  0.178289D+01 -0.493470D+01 -0.838278D+00
               156           157           158           159           160 
      1   0.216872D+01 -0.134064D+01  0.154073D+00 -0.369337D+01  0.226084D+01
      2  -0.227217D+00  0.115287D+01  0.167292D+00 -0.921521D+00 -0.305929D+01
      3  -0.217383D+01  0.388835D+01  0.683609D+00  0.848983D+00 -0.288991D+01
               161           162           163           164           165 
      1   0.157112D+01  0.394075D+01 -0.131410D+01 -0.676082D+00  0.108018D+01
      2  -0.153862D+00  0.203061D+01 -0.492602D+01  0.638273D+00  0.539739D+01
      3  -0.131191D+01 -0.180560D+01 -0.171777D+01 -0.348347D+01  0.556189D+00
               166           167           168           169           170 
      1   0.109240D-01 -0.348389D+00 -0.913274D+00  0.219517D+01  0.228053D+01
      2   0.500706D+00 -0.104531D+01  0.946228D+00  0.209947D+01 -0.382446D+01
      3  -0.318704D+01  0.104216D+00  0.159788D+01  0.307444D+01  0.411760D+01
               171           172           173           174           175 
      1  -0.622721D+01  0.101015D+01 -0.984105D+00  0.138707D+01 -0.161154D+01
      2  -0.202422D+02  0.474392D+01 -0.137960D+01  0.321873D+01 -0.256135D+01
      3   0.322216D+00  0.124818D+01 -0.716102D+01 -0.274124D+00 -0.374847D+01
               176           177           178           179           180 
      1   0.349087D+01 -0.345144D+01  0.146940D+01 -0.115264D+01  0.108701D+01
      2   0.554158D+01 -0.361487D+01  0.328892D+01 -0.389144D+01  0.812404D+00
      3   0.177764D+02 -0.193226D+01 -0.332773D+01 -0.668726D+01  0.183053D+01
               181           182           183           184           185 
      1  -0.223548D+01 -0.141582D+01  0.804480D+00 -0.924350D+00 -0.366626D+00
      2   0.746414D+01  0.682707D+00 -0.437652D+01  0.195033D+01  0.333912D+01
      3   0.247183D+01  0.243353D+01  0.358700D+00  0.508542D+01 -0.718214D+00
               186           187           188           189           190 
      1  -0.628968D+00  0.141221D+01  0.350351D+01 -0.383576D+01  0.339679D+00
      2  -0.878129D+00 -0.829959D+01 -0.977731D+00  0.291334D+02 -0.148288D+01
      3  -0.252176D+01 -0.102395D-01 -0.363547D+01 -0.156856D+00 -0.258616D+02
               191           192           193           194           195 
      1   0.579208D+00  0.230578D+01  0.288543D+00 -0.687054D+00 -0.119129D+01
      2   0.328274D+00 -0.255858D+00  0.258968D+00  0.693530D+00  0.279657D+00
      3   0.639268D+01  0.814398D+00  0.667402D+01 -0.385342D+01 -0.116604D+01
               196           197           198           199           200 
      1   0.218430D+01  0.504988D+00  0.654191D+00  0.205798D+01 -0.111939D+00
      2  -0.335369D+01  0.115971D+01 -0.985443D+00 -0.311221D+01 -0.109084D+01
      3   0.110919D+01 -0.222770D+01 -0.273960D+01 -0.228363D+01 -0.325256D+01
               201           202           203           204           205 
      1  -0.284359D+01  0.210057D+00  0.106063D+01 -0.228522D+01 -0.282936D+01
      2   0.493569D+01 -0.189404D+00 -0.186066D+01  0.127580D+01  0.684994D+00
      3  -0.282938D+00 -0.338555D+00 -0.149491D+01  0.185191D+01 -0.217201D+01
               206           207           208           209           210 
      1  -0.108938D+00  0.147971D+02 -0.266142D+01 -0.220801D+01 -0.392420D+01
      2   0.606873D+01 -0.222752D+02  0.348286D+01  0.318909D+01  0.481621D+01
      3   0.708060D+01 -0.499011D+01 -0.444416D+01 -0.926370D+01 -0.803059D+00
               211           212           213           214           215 
      1  -0.329446D+01 -0.540969D+01 -0.587995D+01 -0.338388D+01 -0.326406D+01
      2   0.310046D+01  0.733395D+01  0.595625D+01  0.346150D+01  0.668749D+01
      3  -0.322036D+01 -0.184624D+02 -0.483074D+01 -0.833342D+00 -0.102108D+02
               216           217           218           219           220 
      1  -0.345314D+01  0.247337D+00 -0.433349D+00 -0.417718D-01  0.131771D+00
      2   0.424127D+01 -0.866667D+01  0.248293D+00  0.107556D+02 -0.106570D+00
      3  -0.435933D+01 -0.668288D+00 -0.440010D+01 -0.350321D+00 -0.454268D+01
               221           222           223           224           225 
      1   0.249859D-01 -0.878855D+00 -0.590039D+00  0.261541D+01  0.930803D+00
      2  -0.217027D+01  0.757689D+00  0.155899D+02 -0.748043D-01 -0.357519D+02
      3   0.903866D+00  0.186827D+01 -0.743172D+00  0.641827D+01 -0.166665D+00
               226           227           228           229           230 
      1  -0.660954D+00  0.697174D+00  0.476688D+00  0.831267D+00 -0.243912D+01
      2   0.410847D+01 -0.239983D+01  0.525353D+01 -0.390703D+01  0.103798D+02
      3   0.874885D+01 -0.108951D+02  0.286475D+01 -0.147323D+02  0.330139D+02
               231           232           233           234           235 
      1  -0.175365D+01 -0.267351D+00  0.181433D+01  0.221925D+00  0.278947D+00
      2  -0.973284D+01  0.651639D+01 -0.682670D+01  0.542136D+01  0.794892D+01
      3  -0.108348D+02  0.437515D+01 -0.126845D+02  0.665901D+01 -0.120313D+02
               236           237           238           239           240 
      1   0.831358D+00 -0.954944D+00  0.286418D+00  0.119643D+01 -0.163911D+01
      2   0.442060D+01  0.946344D+01  0.678110D+01  0.915315D+01  0.100265D+02
      3  -0.130173D+02 -0.500970D+01 -0.162386D+02 -0.197451D+02 -0.983404D+01
               241           242           243           244           245 
      1  -0.565249D+00  0.152282D+01 -0.713837D+00  0.346513D+00 -0.394810D+00
      2   0.109702D+02  0.692572D+01  0.845792D+01 -0.576343D+01  0.714713D-01
      3  -0.704665D+01 -0.119929D+02 -0.700547D+01 -0.276638D+01 -0.190284D+01
               246           247           248           249           250 
      1  -0.847059D+00 -0.879168D-01  0.614700D-01 -0.959249D+00 -0.123388D+01
      2   0.379861D+01  0.292310D+00 -0.266853D+01  0.427429D+01  0.119764D+01
      3  -0.526610D+00 -0.867179D+00 -0.123194D+01  0.283646D+01 -0.117104D+01
               251           252           253           254           255 
      1   0.274647D+01  0.320724D+01 -0.235079D+01  0.101975D+01 -0.244592D+01
      2   0.366961D+01 -0.187444D+02  0.148324D+02  0.405194D+01  0.672005D+01
      3   0.396116D+01 -0.225620D+01 -0.157566D+02 -0.163747D+02 -0.249650D+00
               256           257           258           259           260 
      1  -0.151404D+01 -0.630406D+01 -0.378526D+01 -0.104848D+01  0.100980D+01
      2   0.529418D+01  0.532879D+01  0.647267D+01  0.500536D+01  0.558674D+01
      3  -0.820026D+01  0.202336D+02 -0.421906D+01  0.759117D+00 -0.704210D+01
               261           262           263           264           265 
      1   0.895750D+01  0.102317D+01 -0.157787D+01  0.693419D+00 -0.287661D+01
      2  -0.181746D+02 -0.649490D+00  0.339900D+00  0.125632D+01  0.843338D-01
      3  -0.466449D+01  0.335085D+01 -0.516758D+01 -0.183080D+01 -0.512252D+01
               266           267           268           269           270 
      1   0.908806D+01 -0.207128D+01  0.490844D+00 -0.109584D+01  0.110396D+01
      2  -0.342818D+01 -0.531844D+01  0.387095D+00 -0.177247D+01 -0.866355D+00
      3   0.293562D+02  0.562322D+01  0.157844D+01 -0.515327D+01  0.160609D+01
               271           272           273           274           275 
      1   0.118387D+01  0.597233D+00 -0.237316D+01  0.829562D+00  0.691995D+00
      2  -0.777528D+01 -0.280268D+00  0.809340D+01 -0.846088D+00 -0.135979D+01
      3   0.144377D+02 -0.611932D+01 -0.109957D+01 -0.318838D+01 -0.904475D+00
               276           277           278           279           280 
      1  -0.237124D+00 -0.199123D+01  0.585955D+00 -0.107423D+00  0.139554D+01
      2  -0.456051D+00  0.428501D+01 -0.399201D-01 -0.204895D+00 -0.105513D+01
      3   0.831847D+00 -0.142038D+01  0.197091D+01  0.166946D+01 -0.501334D+01
               281           282           283           284           285 
      1  -0.873878D+00  0.174413D+01 -0.457369D+00  0.508985D+01 -0.425111D+01
      2  -0.993311D+00 -0.135955D+01 -0.818607D+00 -0.476147D-01  0.307118D+01
      3   0.890205D+01 -0.188262D+00  0.572831D+01 -0.307389D+02  0.718148D+00
               286           287           288           289           290 
      1   0.711814D+00 -0.103350D+01  0.481702D+00 -0.177135D+01 -0.607385D+00
      2  -0.163691D+01  0.239576D+01  0.442454D+00  0.427466D+01 -0.295687D-01
      3  -0.123725D+01  0.434841D+01 -0.277040D+01  0.141104D+01  0.103733D+01
               291           292           293           294           295 
      1   0.556813D+00 -0.278681D+00 -0.217884D+01  0.982492D+00 -0.108785D+00
      2  -0.202771D+01  0.149026D+01  0.193045D+01 -0.321269D+01 -0.219642D+01
      3   0.117088D+01  0.100552D+01  0.529304D+00 -0.158373D+01  0.150337D+01
               296           297 
      1   0.352877D+01 -0.114670D+02
      2   0.952442D-01  0.249180D+02
      3  -0.462338D+01  0.632264D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.250058D+01 -0.843478D+01  0.228511D+02  0.169042D+02 -0.339803D+01
      2   0.686301D+01  0.351216D+01 -0.835625D+01 -0.433917D+01  0.446182D+01
      3  -0.436243D+01  0.492262D+01 -0.144948D+02 -0.125650D+02 -0.106378D+01
      4  -0.142465D+01  0.238063D+01 -0.395133D-01  0.864050D+01  0.458997D+01
      5   0.199636D+02  0.912829D+00 -0.732817D+01 -0.526863D+01 -0.255153D+01
      6  -0.380476D+00 -0.313455D+01  0.432336D+00 -0.402106D+00  0.357517D+01
                 6             7             8             9            10 
      1  -0.167037D+02 -0.248421D+02 -0.974868D+01  0.389587D+01  0.495163D+02
      2   0.131732D+01  0.415396D+01  0.151890D+01  0.389118D+01 -0.191690D+02
      3   0.153864D+02  0.206882D+02  0.822978D+01 -0.778704D+01 -0.303472D+02
      4  -0.407408D+01  0.377820D+01 -0.241850D+01 -0.488211D+01 -0.120038D+02
      5  -0.350401D+01  0.942348D+01 -0.433346D+01  0.585208D+01 -0.538055D+01
      6   0.122601D+02 -0.713646D+01  0.610327D+01  0.152004D+02  0.226996D+01
                11            12            13            14            15 
      1   0.769122D+01 -0.788284D+00  0.100103D+02 -0.697083D+00  0.624259D+01
      2  -0.675881D+01  0.283519D+01 -0.100040D+02  0.645618D+01 -0.104840D+01
      3  -0.932417D+00 -0.204690D+01 -0.629309D-02 -0.575909D+01 -0.519419D+01
      4   0.144808D+01 -0.345316D+01  0.175655D+02 -0.558458D+01 -0.993627D+00
      5  -0.404937D+01  0.657019D+01  0.110427D+02 -0.881925D+00 -0.199690D+01
      6   0.163526D+00 -0.672221D+01 -0.528140D+01  0.444350D+01  0.877418D+01
                16            17            18            19            20 
      1  -0.871426D+01  0.660269D+01 -0.182559D+02 -0.112893D+01  0.546053D+01
      2  -0.112596D+01  0.526574D+01  0.175453D+01 -0.193928D+01 -0.220283D+01
      3   0.984022D+01 -0.118684D+02  0.165014D+02  0.306821D+01 -0.325771D+01
      4   0.146273D+02  0.910066D+00 -0.183670D+01  0.364702D+01  0.200147D-02
      5  -0.148268D+02 -0.170351D+01 -0.474170D+01 -0.168854D+02  0.246155D+01
      6  -0.426094D+01  0.628455D+00 -0.541669D+01  0.305456D+01  0.508579D+01
                21            22            23            24            25 
      1  -0.275487D+02 -0.100613D+02 -0.538018D+01 -0.612674D+01  0.248031D+02
      2   0.724217D+01 -0.145365D+01  0.653257D+01 -0.163177D+00 -0.144705D+01
      3   0.203065D+02  0.115149D+02 -0.115239D+01  0.628991D+01 -0.233561D+02
      4   0.227266D+01  0.343725D+01 -0.180510D+01  0.383578D+01  0.455924D+01
      5  -0.171222D+01  0.983315D+00  0.214701D+01  0.595248D+01  0.124506D+02
      6   0.543914D+01  0.263371D+01  0.235111D+01  0.809990D+01  0.103163D+02
                26            27            28            29            30 
      1  -0.838260D+01  0.847172D+01  0.163397D+02 -0.904047D+00  0.131855D+01
      2   0.125948D+01 -0.266737D+01 -0.320727D+01  0.545231D+01  0.880540D+00
      3   0.712312D+01 -0.580435D+01 -0.131325D+02 -0.454826D+01 -0.219909D+01
      4   0.364617D+01  0.718753D+01  0.241542D+02  0.229605D+01 -0.209267D+01
      5   0.513477D+01 -0.422961D+01  0.234641D+01 -0.143305D+01  0.692695D+01
      6   0.244166D+01  0.106281D+02  0.382170D+01 -0.139073D+01  0.438471D+01
                31            32            33            34            35 
      1   0.166798D+00 -0.177449D+01  0.794689D+01 -0.892239D+01  0.979460D+01
      2   0.634572D+01  0.508853D+01 -0.220504D+01  0.212666D+01  0.342068D+01
      3  -0.651252D+01 -0.331404D+01 -0.574185D+01  0.679573D+01 -0.132153D+02
      4   0.157242D+02  0.399230D+00  0.206727D+01  0.116602D+02  0.533348D+01
      5   0.120763D+02  0.545773D+00  0.147103D+01 -0.177832D+02  0.238062D+01
      6  -0.993843D+00  0.391964D+01  0.611227D+01 -0.156560D+01  0.985619D+00
                36            37            38            39            40 
      1  -0.214000D+02  0.102335D+02 -0.134687D+02  0.257431D+02  0.439519D+01
      2   0.335699D+01  0.214475D-02  0.120654D+02 -0.126202D+02  0.428042D+01
      3   0.180430D+02 -0.102356D+02  0.140333D+01 -0.131229D+02 -0.867561D+01
      4   0.706021D-02 -0.935871D+01 -0.139569D+01  0.439995D+01  0.153649D+02
      5  -0.263756D+01  0.134725D+02  0.217982D+01 -0.919354D+01 -0.244618D+01
      6  -0.749583D+01 -0.431867D+00 -0.608529D+01  0.604516D+01 -0.476066D+00
                41            42            43            44            45 
      1  -0.111346D+02 -0.719580D+01 -0.186907D+02 -0.493797D+01  0.820056D+01
      2   0.171654D+02 -0.106060D+02  0.176224D+01 -0.357957D+01 -0.125428D+01
      3  -0.603084D+01  0.178018D+02  0.169284D+02  0.851755D+01 -0.694627D+01
      4   0.691350D+01 -0.321142D+01 -0.396830D+01 -0.258135D+01 -0.612866D+01
      5  -0.189354D+01 -0.256865D+01  0.753941D+01 -0.580385D+01  0.800801D+01
      6  -0.666553D+01  0.653568D+01 -0.988555D+01  0.150098D+01  0.871040D+01
                46            47            48            49            50 
      1  -0.898322D+01  0.105105D+02 -0.274829D+02 -0.680476D+01 -0.162545D+02
      2   0.265956D+01 -0.927487D+01  0.883328D+01 -0.523590D+01  0.227500D+02
      3   0.632366D+01 -0.123567D+01  0.186496D+02  0.120407D+02 -0.649548D+01
      4   0.927163D+01  0.469655D+00  0.414117D+01  0.591476D+01 -0.650909D+01
      5  -0.139285D+02  0.491012D+01 -0.291207D+01  0.539358D+01  0.209518D+01
      6   0.373865D+01  0.571548D+01 -0.500100D+01 -0.379752D+00 -0.620934D+01
                51            52            53            54            55 
      1   0.273119D+01  0.366462D+02 -0.412241D+01  0.905295D+01 -0.372891D+02
      2  -0.106161D+02 -0.920032D+01 -0.957353D+00 -0.518043D+01  0.124394D+02
      3   0.788492D+01 -0.274458D+02  0.507976D+01 -0.387252D+01  0.248496D+02
      4   0.125173D+01 -0.429801D+01 -0.178980D+00  0.720681D+01  0.104198D+01
      5   0.646283D+01  0.441990D+01  0.647185D+01 -0.588742D+01 -0.344086D+01
      6   0.425225D+01  0.112409D+02 -0.222178D+01  0.767268D+01  0.222090D+01
                56            57            58            59            60 
      1  -0.949552D+01 -0.402067D+01 -0.390682D+02 -0.290402D+02 -0.422955D+01
      2   0.670813D+01 -0.108074D+01  0.274819D+02  0.342016D+01  0.473718D+01
      3   0.278739D+01  0.510141D+01  0.115863D+02  0.256201D+02 -0.507632D+00
      4  -0.244840D+02 -0.189087D+00 -0.495637D+02  0.260780D+02 -0.123096D+02
      5  -0.607733D+00 -0.103537D+02 -0.391277D+01 -0.125586D+02  0.986827D-01
      6   0.632905D+00  0.130212D+01 -0.682674D+00  0.423123D+01  0.252350D-01
                61            62            63            64            65 
      1  -0.297522D+02 -0.749739D+01 -0.700537D+01 -0.546452D+02  0.157771D+02
      2   0.466987D+01  0.693909D+01  0.121103D+02  0.342231D+02 -0.310719D+01
      3   0.250823D+02  0.558298D+00 -0.510492D+01  0.204220D+02 -0.126699D+02
      4  -0.519034D+01 -0.214165D+02  0.674877D+01  0.171714D+02  0.283204D+02
      5  -0.237452D+02  0.413467D+01  0.389217D+02 -0.647789D+00  0.325496D+01
      6   0.371471D+01 -0.158097D+01 -0.669035D+01  0.864819D+00 -0.250971D+01
                66            67            68            69            70 
      1  -0.132482D+01  0.527051D+02  0.496269D+02 -0.590176D+00  0.210343D+02
      2  -0.200493D+01 -0.226878D+02 -0.280967D+02  0.241122D+01 -0.791528D+01
      3   0.332976D+01 -0.300174D+02 -0.215303D+02 -0.182105D+01 -0.131190D+02
      4   0.275164D+01  0.450839D+02 -0.154576D+02  0.160671D+02  0.639644D+01
      5   0.174238D+02  0.720048D+01  0.182077D+02  0.270433D+01  0.344209D+02
      6   0.309212D+01  0.267870D+01  0.500484D+01 -0.101059D+01  0.281940D+01
                71            72            73            74            75 
      1   0.140055D+01  0.334159D+02  0.522624D+02 -0.656476D+01 -0.787521D+01
      2   0.407331D+01 -0.911642D+01 -0.358952D+02 -0.787643D+01 -0.169742D+00
      3  -0.547386D+01 -0.242995D+02 -0.163672D+02  0.144412D+02  0.804495D+01
      4   0.211992D+02  0.502617D+01 -0.377750D+01 -0.300321D+02 -0.832723D+01
      5   0.423459D+01 -0.555317D+02 -0.768618D+01 -0.605193D+01 -0.126108D+02
      6   0.441721D+01 -0.639091D+01 -0.722088D+01 -0.269546D+01 -0.918094D+01
                76            77            78            79            80 
      1  -0.104265D+02 -0.326291D+02  0.337320D+01 -0.128465D+02  0.253632D+01
      2  -0.698142D+01  0.139924D+02 -0.120949D+02 -0.123398D+01 -0.152732D+02
      3   0.174079D+02  0.186366D+02  0.872172D+01  0.140805D+02  0.127369D+02
      4  -0.351554D+02 -0.111950D+02 -0.208962D+02 -0.869161D+01 -0.302543D+02
      5  -0.638289D+01 -0.204907D+02 -0.790644D+01 -0.203752D+02 -0.147258D+02
      6  -0.521630D+01 -0.169976D+02 -0.412019D+01 -0.109553D+02 -0.870074D+01
                81            82            83            84            85 
      1  -0.861631D+01  0.655767D+02 -0.194210D+02 -0.549939D+01 -0.319435D+02
      2   0.839551D+01 -0.351570D+02  0.932419D+01  0.119857D+01  0.153309D+02
      3   0.220805D+00 -0.304197D+02  0.100968D+02  0.430082D+01  0.166126D+02
      4  -0.196104D+02 -0.221238D+02 -0.381979D+02 -0.644062D+01 -0.590910D+02
      5   0.402250D+02 -0.882073D+01 -0.693920D+01 -0.317660D+02 -0.105834D+02
      6   0.201137D+02 -0.167283D+01 -0.466869D+01 -0.197964D+01 -0.911643D+01
                86            87            88            89            90 
      1  -0.523613D+02 -0.657911D+01 -0.157708D+02 -0.636005D+01 -0.435766D+02
      2   0.257624D+02  0.235948D+01  0.370875D+01  0.224647D+01  0.242803D+02
      3   0.265989D+02  0.421962D+01  0.120621D+02  0.411357D+01  0.192963D+02
      4   0.232773D+02 -0.411716D+02 -0.100377D+02 -0.400888D+02 -0.518405D+01
      5  -0.440959D+02 -0.431434D+01 -0.520953D+02 -0.413954D+01  0.508395D+02
      6   0.327292D+00 -0.460756D+01 -0.348693D+01 -0.517488D+01  0.142539D+01
                91            92            93            94            95 
      1   0.121885D+02 -0.361879D+01 -0.122672D+01 -0.111834D+02 -0.177535D+02
      2  -0.938665D+01 -0.265889D+01 -0.124364D+01  0.515505D+01  0.687212D+01
      3  -0.280182D+01  0.627768D+01  0.247036D+01  0.602835D+01  0.108814D+02
      4  -0.194347D+02 -0.173348D+02 -0.835603D+01 -0.419390D+02  0.149950D+02
      5  -0.685956D+01 -0.752833D+01 -0.919774D+01 -0.140024D+02 -0.303928D+01
      6  -0.486169D+01 -0.255936D+01 -0.460314D+01 -0.292607D+01 -0.565931D+01
                96            97            98            99           100 
      1  -0.681511D+01 -0.165613D+02 -0.880101D+01 -0.219774D+01 -0.539992D+01
      2   0.416516D+00  0.395317D-01 -0.190858D+01  0.760481D+01  0.115274D+01
      3   0.639860D+01  0.165218D+02  0.107096D+02 -0.540707D+01  0.424718D+01
      4  -0.286854D+01 -0.198898D+02 -0.154634D+02 -0.166604D+02  0.131650D+02
      5  -0.141188D+02 -0.153590D+02 -0.156078D+02  0.296669D+02 -0.170056D+02
      6  -0.316396D+01 -0.824743D+01 -0.292145D+01  0.831030D+01  0.540366D+01
               101           102           103           104           105 
      1   0.572979D+01 -0.862121D+01  0.189885D+02  0.448717D+01  0.942242D+01
      2  -0.385124D+00  0.586219D+01 -0.143220D+02  0.219346D+01 -0.318433D+01
      3  -0.534466D+01  0.275901D+01 -0.466644D+01 -0.668063D+01 -0.623809D+01
      4  -0.911549D+00  0.750270D+01 -0.181842D+00 -0.174944D+02 -0.251510D+01
      5   0.673915D+01 -0.344584D+01  0.758186D+01 -0.233944D+01  0.247797D+02
      6  -0.525065D+01  0.626216D+01 -0.112311D+01 -0.184238D+01 -0.153070D+02
               106           107           108           109           110 
      1  -0.248270D+02  0.106540D+02 -0.589798D+01  0.437936D+02 -0.130318D+02
      2   0.940984D+01  0.277028D+01  0.340881D+01 -0.211627D+02  0.417061D+01
      3   0.154172D+02 -0.134243D+02  0.248917D+01 -0.226309D+02  0.886122D+01
      4   0.210326D+02 -0.177048D+02  0.226707D+02 -0.245577D+02  0.199052D+02
      5  -0.206097D+02  0.206050D+02 -0.237867D+02  0.320067D+02 -0.656721D+01
      6   0.118080D+02 -0.179441D+02  0.596054D+01 -0.113386D+02  0.408205D+01
               111           112           113           114           115 
      1   0.247580D+02 -0.156570D+02  0.361284D+01 -0.178927D+01  0.411606D+02
      2  -0.146423D+02  0.290764D+01  0.744150D+01 -0.105219D+01 -0.203420D+02
      3  -0.101157D+02  0.127493D+02 -0.110543D+02  0.284146D+01 -0.208186D+02
      4  -0.105247D+02  0.248165D+02 -0.225913D+02  0.180159D+02 -0.249909D+02
      5   0.228671D+02 -0.122109D+02  0.174125D+02 -0.200330D+02  0.363347D+02
      6  -0.762372D+01  0.599322D+01 -0.115115D+02  0.176050D+02 -0.114389D+02
               116           117           118           119           120 
      1  -0.416738D+01  0.112508D+02 -0.283267D+00 -0.925745D+01 -0.127059D+02
      2  -0.393529D+01 -0.151490D+02 -0.342075D+01  0.123555D+02  0.809455D+01
      3   0.810267D+01  0.389816D+01  0.370402D+01 -0.309807D+01  0.461140D+01
      4   0.325983D+02 -0.194756D+02  0.154283D+01 -0.796453D+01  0.318178D+01
      5  -0.178835D+02  0.597317D+02 -0.832621D+01 -0.140991D+01  0.577997D+01
      6   0.164962D+02 -0.273701D+02  0.351391D+01  0.514150D+01  0.103285D+01
               121           122           123           124           125 
      1  -0.405705D+01 -0.657725D+01 -0.560759D+01 -0.130400D+02 -0.790890D+01
      2   0.131657D+02 -0.156895D+02  0.221555D+01  0.705100D+01  0.773244D+01
      3  -0.910865D+01  0.222667D+02  0.339203D+01  0.598902D+01  0.176455D+00
      4  -0.112171D+02  0.436026D+02 -0.339781D+01  0.131212D+02 -0.183139D+02
      5   0.164270D+01 -0.267318D+01 -0.505037D+01  0.172700D+02 -0.179909D+02
      6   0.280099D+01  0.196796D+01  0.106563D+02 -0.643589D+01  0.201644D+02
               126           127           128           129           130 
      1  -0.913941D+01 -0.841254D+00 -0.107720D+00  0.359056D+01 -0.256266D+01
      2  -0.657205D+01 -0.522467D+01 -0.126271D+01  0.556904D+01 -0.512323D+00
      3   0.157115D+02  0.606593D+01  0.137043D+01 -0.915961D+01  0.307499D+01
      4  -0.159796D+02  0.106251D+01  0.245179D+01 -0.780028D+00  0.127430D+01
      5  -0.340624D+02 -0.909336D+01 -0.253713D+01  0.118886D+02 -0.277982D+01
      6   0.228326D+02  0.169635D+00 -0.161965D+01 -0.491317D+00 -0.119257D+01
               131           132           133           134           135 
      1  -0.334294D+01  0.787960D+01  0.374172D+01  0.505354D+01 -0.237828D+02
      2  -0.378121D+00  0.318765D+01  0.665691D+01  0.188176D+01 -0.143448D+02
      3   0.372106D+01 -0.110672D+02 -0.103986D+02 -0.693530D+01  0.381277D+02
      4   0.112270D+01 -0.129856D+01 -0.181314D+01 -0.311647D+01  0.201877D+01
      5  -0.258090D+01  0.420355D+01  0.118520D+02  0.403339D+01 -0.187296D+02
      6  -0.288837D+01  0.193529D+01  0.984501D+00  0.560717D+01 -0.294965D+01
               136           137           138           139           140 
      1   0.457901D+01 -0.817070D-01 -0.187973D+01  0.150764D+00 -0.168155D+01
      2  -0.592398D+01  0.100633D+01 -0.420809D+01  0.215343D+01 -0.314211D+00
      3   0.134497D+01 -0.924618D+00  0.608782D+01 -0.230420D+01  0.199576D+01
      4  -0.252656D+01  0.402042D+01 -0.112143D+01  0.280897D+01 -0.293918D+01
      5   0.111038D+02 -0.288014D+01  0.997561D+01 -0.461736D+01  0.323803D+01
      6  -0.155300D+00  0.169465D+01 -0.973867D+00  0.810738D+00 -0.273445D+01
               141           142           143           144           145 
      1   0.492183D+01 -0.333776D+01  0.396662D+01 -0.122514D+02 -0.266898D+01
      2   0.232335D+01 -0.542406D+01  0.100844D+01 -0.838531D+01 -0.293838D+01
      3  -0.724518D+01  0.876182D+01 -0.497506D+01  0.206368D+02  0.560736D+01
      4   0.137653D+01 -0.213928D+01  0.325049D+01 -0.257362D+01  0.526848D+01
      5  -0.580114D+01  0.124557D+02 -0.444131D+01  0.158419D+02 -0.938162D+01
      6   0.201006D+01 -0.193806D+01  0.486991D+01 -0.359396D+01 -0.573977D+01
               146           147           148           149           150 
      1  -0.176804D+01  0.560619D+01 -0.266419D+01 -0.462299D+01  0.896251D+01
      2   0.192262D+00  0.315452D+01 -0.516032D+00  0.894386D+00  0.818439D+00
      3   0.157578D+01 -0.876070D+01  0.318022D+01  0.372861D+01 -0.978095D+01
      4   0.379224D+01 -0.538215D+01  0.225476D+01  0.179091D+01 -0.276317D+01
      5  -0.350792D+01  0.121913D+02 -0.330088D+01 -0.259772D+01  0.423859D+01
      6  -0.350495D+01  0.628871D+01 -0.289143D+01 -0.516290D+01  0.850287D+01
               151           152           153           154           155 
      1   0.762694D+01  0.108586D+02 -0.294725D+02  0.253819D+01  0.253374D+01
      2   0.226645D+01 -0.283228D+01 -0.594206D+01 -0.324348D+01 -0.223097D+01
      3  -0.989339D+01 -0.802634D+01  0.354145D+02  0.705288D+00 -0.302773D+00
      4  -0.588683D+01 -0.522890D+01  0.803641D+01 -0.106783D+02  0.755507D+01
      5   0.112753D+02  0.541788D+01 -0.180959D+02  0.153687D+02 -0.604716D+01
      6   0.844373D+01  0.127793D+02 -0.233341D+02 -0.886507D+01  0.590631D+01
               156           157           158           159           160 
      1  -0.217574D+01  0.447692D+00 -0.359229D+01  0.549894D+01 -0.405330D+01
      2  -0.223307D+01  0.100319D+01  0.172672D+01  0.299920D+00 -0.248683D+01
      3   0.440881D+01 -0.145088D+01  0.186557D+01 -0.579886D+01  0.654013D+01
      4  -0.833264D+01  0.515361D+01 -0.535162D+01  0.581007D+01 -0.877930D+01
      5   0.139752D+02 -0.704894D+01  0.494765D+01 -0.825255D+01  0.151060D+02
      6  -0.884838D+01  0.542834D+01 -0.595320D+01  0.841575D+01 -0.103044D+02
               161           162           163           164           165 
      1   0.808404D+01 -0.155058D+02  0.784804D+01  0.393587D+00 -0.708180D+01
      2  -0.363472D+01 -0.268092D+01 -0.773658D+01 -0.600664D+00  0.633291D+01
      3  -0.444932D+01  0.181867D+02 -0.111452D+00  0.207077D+00  0.748889D+00
      4   0.737238D+01 -0.106026D+02 -0.171299D+01  0.697545D+01  0.395082D+01
      5  -0.768075D+01  0.199786D+02 -0.132165D+02  0.262242D+01  0.147471D+02
      6   0.116377D+02 -0.180917D+02  0.204534D+01 -0.136905D+01 -0.204438D+01
               166           167           168           169           170 
      1   0.822626D+01  0.174167D+01 -0.176095D+01 -0.147066D+02 -0.297767D+01
      2  -0.524073D+01 -0.471151D+00  0.137442D+01  0.134316D+02  0.481976D+00
      3  -0.298554D+01 -0.127052D+01  0.386537D+00  0.127499D+01  0.249570D+01
      4   0.727385D+01 -0.344757D+01 -0.401359D+01  0.588665D+01 -0.858396D+01
      5  -0.937441D+00 -0.433317D+01  0.198808D+01  0.221363D+02 -0.810435D+01
      6  -0.140614D+01  0.116980D+01  0.501365D+01 -0.507844D+01  0.650787D+01
               171           172           173           174           175 
      1  -0.545971D+01  0.206322D+02 -0.864046D+01  0.376440D+01 -0.149580D+02
      2  -0.136627D+02 -0.397680D+01 -0.503278D+00 -0.887690D+00 -0.241973D+01
      3   0.191225D+02 -0.166554D+02  0.914374D+01 -0.287671D+01  0.173777D+02
      4  -0.108930D+02 -0.209817D+02  0.237710D+02 -0.157823D+01  0.347606D+02
      5  -0.443467D+02  0.445315D+01 -0.382074D+00  0.489971D+01 -0.106065D+01
      6   0.118660D+02 -0.114826D+01 -0.265048D+00 -0.114287D+01  0.456016D+00
               176           177           178           179           180 
      1   0.127396D+00  0.394229D+00  0.192698D+02  0.110550D+01  0.133314D+01
      2   0.209385D+02 -0.258279D+01 -0.578669D+01 -0.461099D+01 -0.233301D+00
      3  -0.210659D+02  0.218856D+01 -0.134831D+02  0.350549D+01 -0.109984D+01
      4  -0.509076D+02  0.607117D+01 -0.930770D+01  0.158631D+02 -0.853445D+01
      5   0.544991D+01 -0.580589D+01  0.850342D+01 -0.737542D+01  0.225073D+01
      6  -0.115769D+01  0.464462D+01 -0.327290D+01  0.526275D+01 -0.213501D+01
               181           182           183           184           185 
      1  -0.955599D+00 -0.280696D+01  0.109472D+02 -0.859515D+01 -0.111572D+02
      2  -0.314824D+01  0.389898D+00 -0.293628D+01  0.368787D+01  0.530026D+01
      3   0.410384D+01  0.241706D+01 -0.801096D+01  0.490728D+01  0.585694D+01
      4  -0.441752D+01 -0.388161D+01  0.173156D+00 -0.295931D+01  0.102432D+01
      5   0.698392D+01 -0.208129D+00 -0.209769D+01  0.908464D+00  0.411628D+01
      6   0.127192D+01  0.119518D+00 -0.139205D+01 -0.469562D+00 -0.507864D-02
               186           187           188           189           190 
      1   0.851070D-01  0.203744D+02 -0.545321D+00 -0.227442D+02 -0.543026D+02
      2   0.803809D+00 -0.905977D+01  0.127719D+01 -0.885356D+01  0.313140D+02
      3  -0.888916D+00 -0.113146D+02 -0.731865D+00  0.315978D+02  0.229886D+02
      4   0.371618D+01  0.147051D+01  0.629530D+01 -0.198463D+01 -0.169404D+02
      5  -0.102529D+01  0.751131D-01 -0.632312D+00  0.502246D+02  0.343510D+01
      6   0.661431D+01 -0.196808D+00  0.352509D+01  0.630844D+01  0.255038D+01
               191           192           193           194           195 
      1   0.146195D+02  0.264901D+01  0.708144D+01 -0.981230D+01 -0.842199D+00
      2  -0.149447D+02 -0.123966D+01 -0.767442D+01  0.921840D+01  0.163210D+01
      3   0.325239D+00 -0.140935D+01  0.592987D+00  0.593901D+00 -0.789903D+00
      4  -0.443284D+01  0.238980D+01  0.199198D+01 -0.517506D+00  0.188069D+01
      5   0.107012D+01 -0.176063D+01 -0.731382D-01  0.234325D+01  0.928488D+00
      6   0.230118D+00 -0.358753D+01  0.530490D+00  0.116328D+01  0.210263D+01
               196           197           198           199           200 
      1   0.423304D+01 -0.263047D+01 -0.521927D+01  0.226914D+01  0.176433D+01
      2  -0.158150D+01  0.329862D+01  0.201840D+01 -0.177378D+01  0.140095D+01
      3  -0.265154D+01 -0.668149D+00  0.320087D+01 -0.495358D+00 -0.316528D+01
      4   0.124042D+01  0.369486D+01  0.203142D+01  0.563899D+01  0.925700D+01
      5   0.126355D+01  0.303476D+01 -0.313717D+01 -0.978054D+01 -0.336903D+01
      6  -0.203079D+01  0.351882D+01 -0.120171D+01 -0.361298D+01 -0.190815D+01
               201           202           203           204           205 
      1  -0.654095D+01 -0.567845D+00 -0.516868D+00  0.256887D+01 -0.112966D+02
      2   0.518218D+01  0.225623D+01  0.194234D+01 -0.255349D+01  0.782291D+01
      3   0.135878D+01 -0.168838D+01 -0.142547D+01 -0.153808D-01  0.347368D+01
      4  -0.521109D+01  0.609607D+01  0.635214D+01 -0.476551D+01 -0.909596D+01
      5   0.136829D+02 -0.461963D+00 -0.508711D+01  0.316867D+01  0.157333D+02
      6   0.521349D+01 -0.147430D+01 -0.295730D+01  0.766250D+01  0.720664D+01
               206           207           208           209           210 
      1   0.590506D+01 -0.683649D+01  0.139043D+02  0.924270D+01  0.553879D+01
      2  -0.577593D+01 -0.832163D+01  0.182955D+01  0.814193D+01  0.539383D-01
      3  -0.129127D+00  0.151581D+02 -0.157339D+02 -0.173846D+02 -0.559272D+01
      4  -0.142192D+02  0.166267D+02  0.268570D+02  0.340908D+02  0.881368D+01
      5   0.144411D+02 -0.493317D+02  0.815620D+01  0.625601D+01  0.932755D+01
      6   0.126952D+02 -0.282924D+02  0.521428D+01  0.495513D+01  0.638431D+01
               211           212           213           214           215 
      1   0.935490D+01 -0.215426D+01 -0.886585D+00  0.999134D+01 -0.166364D+01
      2   0.811109D+01  0.304551D+02  0.773224D+01 -0.448479D+00  0.123379D+02
      3  -0.174660D+02 -0.283009D+02 -0.684566D+01 -0.954286D+01 -0.106743D+02
      4   0.335729D+02  0.554062D+02  0.152457D+02  0.165230D+02  0.276353D+02
      5   0.658447D+01  0.136852D+02  0.106212D+02  0.113198D+02  0.139530D+02
      6   0.551257D+01  0.121121D+02  0.100884D+02  0.747639D+01  0.121879D+02
               216           217           218           219           220 
      1   0.134566D+01  0.236747D+02  0.138996D+01 -0.181981D+02  0.393134D+01
      2   0.226685D+01 -0.141505D+02 -0.560513D+00  0.103971D+02 -0.176770D+01
      3  -0.361251D+01 -0.952425D+01 -0.829446D+00  0.780095D+01 -0.216364D+01
      4   0.159038D+02  0.208770D+01  0.829420D+01  0.361913D+00  0.139018D+02
      5   0.904338D+01 -0.190126D+02  0.710693D+00  0.230490D+02 -0.142952D+00
      6   0.799763D+01 -0.328736D+00  0.266157D+00  0.332595D+00 -0.900405D+00
               221           222           223           224           225 
      1   0.947517D+01  0.497529D+00 -0.487589D+02  0.177904D+01  0.286366D+02
      2  -0.475933D+01 -0.500509D+00  0.289022D+02 -0.152429D+01 -0.235864D+02
      3  -0.471584D+01  0.297977D-02  0.198567D+02 -0.254746D+00 -0.505024D+01
      4  -0.160984D+01 -0.440263D+01  0.869950D-01 -0.114648D+02  0.880091D+00
      5  -0.419120D+01  0.156516D+01  0.429434D+02 -0.567831D-01 -0.704452D+02
      6  -0.589272D+00  0.411826D+01  0.155164D+01  0.426091D+01 -0.204221D+01
               226           227           228           229           230 
      1   0.240490D+02 -0.189920D+02  0.947982D+01 -0.435983D+02  0.294057D+02
      2  -0.113619D+02  0.893309D+01 -0.506729D+01  0.211125D+02 -0.909601D+01
      3  -0.126871D+02  0.100589D+02 -0.441253D+01  0.224858D+02 -0.203096D+02
      4  -0.196124D+02  0.233518D+02 -0.649946D+01  0.407737D+02 -0.640563D+02
      5   0.109558D+02 -0.716922D+01  0.113008D+02 -0.139303D+02  0.230832D+02
      6  -0.233068D+01  0.178446D+01 -0.890981D+00  0.416506D+01 -0.666547D+01
               231           232           233           234           235 
      1  -0.847344D+01  0.206111D+02 -0.752369D+01  0.128771D+02  0.580069D+02
      2   0.517050D+01 -0.113110D+02  0.449051D+01 -0.914096D+01 -0.280775D+02
      3   0.330294D+01 -0.930016D+01  0.303318D+01 -0.373611D+01 -0.299294D+02
      4   0.217396D+02 -0.113207D+02  0.240923D+02 -0.135547D+02  0.320214D+02
      5  -0.191936D+02  0.200839D+02 -0.146917D+02  0.123527D+02  0.237174D+02
      6   0.566981D+01 -0.218171D+01  0.592204D+01 -0.397646D+01  0.496686D+01
               236           237           238           239           240 
      1   0.267328D+02  0.190043D+02  0.571418D+02  0.290775D+02  0.134954D+02
      2  -0.119786D+02 -0.101785D+02 -0.257994D+02 -0.855923D+01 -0.686402D+01
      3  -0.147542D+02 -0.882584D+01 -0.313423D+02 -0.205183D+02 -0.663135D+01
      4   0.273766D+02  0.118746D+02  0.444992D+02  0.407809D+02  0.208285D+02
      5   0.122843D+02  0.201502D+02  0.215524D+02  0.213276D+02  0.207235D+02
      6   0.292598D+01  0.277913D+01  0.647440D+01  0.667807D+01  0.621936D+01
               241           242           243           244           245 
      1   0.372394D+02  0.119253D+02  0.204880D+02  0.755252D+00  0.315987D+01
      2  -0.198910D+02 -0.576015D+01 -0.134440D+02 -0.400524D+01 -0.138629D+01
      3  -0.173484D+02 -0.616516D+01 -0.704395D+01  0.324999D+01 -0.177358D+01
      4   0.189417D+02  0.233486D+02  0.154844D+02  0.581930D+01  0.565583D+01
      5   0.317190D+02  0.159550D+02  0.198953D+02 -0.117792D+02 -0.130499D+01
      6   0.550912D+01  0.629348D+01  0.558343D+01 -0.353002D+01 -0.379081D+00
               246           247           248           249           250 
      1  -0.683873D+01  0.379232D+01  0.351850D+00  0.206014D+01 -0.885834D+01
      2   0.524354D+01 -0.157459D+01 -0.431525D-01 -0.501194D+00  0.888446D+01
      3   0.159518D+01 -0.221773D+01 -0.308698D+00 -0.155895D+01 -0.261241D-01
      4  -0.231009D+01  0.947694D+01  0.472994D+01 -0.699426D+01 -0.443039D+01
      5   0.121297D+02 -0.196112D+01 -0.707931D+01  0.886646D+01  0.174671D+02
      6   0.211691D+01 -0.159559D+01 -0.377019D+01  0.693314D+01  0.328792D+01
               251           252           253           254           255 
      1   0.239453D+01 -0.540182D+01 -0.837559D+02 -0.132067D+02  0.842331D+01
      2   0.420610D+00 -0.129961D+02  0.419550D+02  0.165534D+02 -0.539062D+01
      3  -0.281514D+01  0.183979D+02  0.418009D+02 -0.334664D+01 -0.303269D+01
      4  -0.105494D+02  0.934024D+01 -0.195103D+02  0.253312D+02  0.892714D+01
      5   0.794318D+01 -0.410900D+02  0.108277D+02  0.545110D+01  0.107351D+02
      6   0.627632D+01 -0.116429D+02  0.864143D+01  0.417734D+01  0.434306D+01
               256           257           258           259           260 
      1   0.984794D+01  0.364786D+02  0.884653D-01  0.267076D+02  0.112518D+01
      2   0.326621D+01 -0.359533D+02  0.513781D+00 -0.950286D+01  0.457169D+01
      3  -0.131142D+02 -0.525313D+00 -0.602246D+00 -0.172047D+02 -0.569687D+01
      4   0.354423D+02 -0.128512D+02  0.123224D+02  0.208453D+02  0.200788D+02
      5   0.110416D+02  0.151480D+02  0.134015D+02  0.162509D+02  0.119987D+02
      6   0.746228D+01  0.515086D+01  0.730185D+01  0.830530D+01  0.773806D+01
               261           262           263           264           265 
      1   0.134549D+02  0.480754D+01 -0.734142D+01 -0.147501D+01 -0.457585D+01
      2   0.599141D+01  0.334711D+01 -0.321616D+01 -0.269299D+00 -0.823473D+01
      3  -0.194463D+02 -0.815465D+01  0.105576D+02  0.174431D+01  0.128106D+02
      4   0.155980D+02 -0.145488D+02  0.213848D+02  0.422001D+01  0.266781D+02
      5  -0.265962D+02 -0.491661D+01  0.561019D+01  0.385506D+01  0.661377D+01
      6  -0.839145D+01  0.342443D+01 -0.404802D+01 -0.160967D+01 -0.546924D+01
               266           267           268           269           270 
      1  -0.109369D+02 -0.315817D+01  0.721078D+00 -0.130287D+00 -0.150365D+01
      2   0.392789D+02  0.507208D+01  0.252347D+01 -0.743104D+01  0.176139D+01
      3  -0.283420D+02 -0.191391D+01 -0.324455D+01  0.756133D+01 -0.257739D+00
      4  -0.655137D+02 -0.123235D+02 -0.452561D+01  0.108397D+02 -0.353903D+01
      5  -0.145417D+02 -0.112126D+02  0.196953D+01 -0.328151D+01 -0.266498D+01
      6   0.170823D+02  0.845811D+01 -0.117669D+01  0.387696D+01  0.182654D+01
               271           272           273           274           275 
      1   0.128136D+03  0.141957D+02 -0.410553D+01 -0.195058D+01  0.664451D+01
      2  -0.594641D+02 -0.245756D+01  0.153375D+01  0.399977D+01  0.122385D+00
      3  -0.686715D+02 -0.117382D+02  0.257178D+01 -0.204919D+01 -0.676689D+01
      4   0.499706D+02  0.211968D+02  0.352646D-01  0.129915D+02  0.684953D+01
      5   0.417359D+01  0.143848D+01  0.133401D+02 -0.585058D+00 -0.170263D+01
      6  -0.808954D+00  0.138973D+01  0.426496D+01  0.128742D+00 -0.553874D-01
               276           277           278           279           280 
      1   0.183551D+00 -0.168244D+02 -0.176253D+01  0.920413D+01  0.121405D+00
      2  -0.332270D+00  0.712355D+01 -0.614632D+00 -0.653446D+01  0.319599D+01
      3   0.148719D+00  0.970082D+01  0.237716D+01 -0.266967D+01 -0.331739D+01
      4  -0.188106D+01 -0.812719D+01 -0.560611D+01  0.271860D+01  0.338390D+01
      5  -0.103714D+01  0.132890D+02  0.798899D+00 -0.525285D+00 -0.230035D+01
      6   0.218441D+00  0.374927D+01  0.909647D+00 -0.224995D+00 -0.953809D+00
               281           282           283           284           285 
      1   0.145763D+02 -0.124157D+01  0.118952D+02 -0.331567D+02 -0.109677D+00
      2  -0.158022D+02  0.987662D+00 -0.567206D+01  0.536459D+02 -0.101354D+01
      3   0.122588D+01  0.253912D+00 -0.622318D+01 -0.204891D+02  0.112322D+01
      4  -0.864452D+01 -0.193872D+01  0.881957D+01  0.510734D+02 -0.518409D+00
      5  -0.771787D-01 -0.277716D+01  0.148986D+01 -0.310184D+01  0.606346D+01
      6  -0.144777D+01 -0.250900D+01 -0.171529D+00  0.414078D+01  0.674079D+01
               286           287           288           289           290 
      1  -0.523505D+01  0.218549D+01 -0.561960D+01  0.588886D+01  0.117453D+01
      2   0.172468D+01 -0.570917D+01  0.430623D+01 -0.580189D+01 -0.190355D+01
      3   0.351037D+01  0.352368D+01  0.131337D+01 -0.869700D-01  0.729019D+00
      4  -0.426818D+01 -0.912209D+01  0.333705D+01 -0.136469D+00 -0.284162D+01
      5   0.159152D+00  0.456105D+01  0.422121D+00  0.353760D+01 -0.134227D+01
      6  -0.615146D+00  0.632527D+01 -0.549680D+00  0.207514D+00 -0.143447D+01
               291           292           293           294           295 
      1   0.567672D+01 -0.527071D+01 -0.585885D+01 -0.477599D+00  0.115175D+02
      2  -0.223302D+01  0.198842D+01  0.330871D+01  0.291881D+01 -0.686142D+01
      3  -0.344370D+01  0.328230D+01  0.255013D+01 -0.244121D+01 -0.465609D+01
      4   0.703730D-01 -0.343559D+01 -0.279627D+01  0.221024D+01  0.659125D+01
      5   0.482279D+00 -0.240477D+01  0.199249D+01 -0.541692D+01  0.101076D+02
      6  -0.111306D+01 -0.866654D+00 -0.302453D-02  0.138115D+01  0.215191D+01
               296           297 
      1  -0.120430D+01 -0.118358D+02
      2   0.355886D+01 -0.131760D+02
      3  -0.235456D+01  0.250118D+02
      4   0.101535D+02  0.617065D+00
      5   0.171172D+01  0.446256D+02
      6   0.481751D+01  0.178437D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170041D+03      0.251975D+02      0.280360D+02
   aniso      0.779153D+02      0.115459D+02      0.128465D+02
   xx         0.220775D+03      0.327154D+02      0.364008D+02
   yx        -0.164226D+01     -0.243358D+00     -0.270772D+00
   yy         0.139206D+03      0.206282D+02      0.229519D+02
   zx         0.204008D+01      0.302308D+00      0.336363D+00
   zy        -0.751019D+01     -0.111289D+01     -0.123826D+01
   zz         0.150143D+03      0.222489D+02      0.247552D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170041D+03      0.251975D+02      0.280360D+02
   aniso      0.779153D+02      0.115459D+02      0.128465D+02
   xx         0.192604D+03      0.285410D+02      0.317561D+02
   yx         0.684451D+01      0.101425D+01      0.112851D+01
   yy         0.136788D+03      0.202699D+02      0.225533D+02
   zx         0.333495D+02      0.494188D+01      0.549858D+01
   zy         0.821566D-01      0.121744D-01      0.135458D-01
   zz         0.180731D+03      0.267815D+02      0.297985D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-20\Freq\RwB97XD\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P
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 A HARD FALL SHOULD MEAN A HIGH BOUNCE 
 IF ONE IS MADE OF THE RIGHT MATERIAL.

                -- THE CHEMIST ANALYST, MARCH 1950
 Job cpu time:       0 days 18 hours 56 minutes 59.9 seconds.
 Elapsed time:       0 days  2 hours 22 minutes 28.9 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:02:43 2021.
